Compound - Results

Nalorphine

Java required.


Information Structure
Name Nalorphine
Synonyms
7,8-Didehydro-4,5-epoxy-17-(2-propenyl)morphinan-3,6-diol
Acetorfin
Allorphine
Anarcon
Anthorphine
Antorfin
Antorphin
Antorphine
DEA Code 9400
EINECS 200-546-1
HSDB 3278
Morphinan-3,6-alpha-diol, 17-allyl-7,8-didehydro-4,5-alpha-epoxy-
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, (5alpha,6alpha)-
N-Allyl-7,8-dehydro-4,5-epoxy-3,6-dihydroxymorphinan
N-Allyl-N-desmethylmorphine
N-Allylnormorphine
Nallin
Nalline
Nalorfina
Nalorphin
Nalorphine
Nalorphinium
Nalorphinum
NANM
Norfin
Normorphine, N-allyl-
ATC V03AB02
CID 5284595
CAS 000062679
TTD Drug ID DNC000986
SMILES O[C@H]1C=C[C@H]2[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5
Formula C19H21NO3
Molweight 311.375
Atoms 27
LogP 1.6922
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
Edetates

Java required.


Information Structure
Name Edetates
Synonyms
(Ethylenedinitrilo)tetraacetic Acid
3,6-Diazaoctanedioic Acid, 3,6-bis(carboxymethyl)-
4-04-00-02449 (Beilstein Handbook Reference)
Acetic Acid, 2,2,2,2-(1,2-ethanediyldinitrilo)tetrakis-
Acide Edetique
Acide Ethylenediaminetetracetique
Acido Edetico
Acidum Edeticum
AI3-17181
BRN 1716295
Caswell No. 438
CCRIS 946
Celon A
Celon ATH
Cheelox
Cheelox BF Acid
Chelest 3A
Chemcolox 340
Clewat TAA
Complexon II
Dissolvine E
Edathamil
Edetates
Edetic Acid
EDTA
EDTA (chelating Agent)
EDTA Acid
EDTA And Its Salts (known Collectively As Edetates)
EINECS 200-449-4
Endrate
EPA Pesticide Chemical Code 039101
Ethylenebisiminodiacetic Acid
Ethylenediamine Tetraacetic Acid
Ethylenediamine-N,N,N,N-tetraacetic Acid
Ethylenediaminetetraacetic Acid
Gluma Cleanser
Hamp-ene Acid
Havidote
HSDB 809
ICRF 185
Komplexon II
Kyselina Ethylendiamintetraoctova
Metaquest A
N,N-1,2-Ethanediylbis(N-(carboxymethyl)glycine)
Nervanaid B Acid
Nullapon B Acid
Nullapon BF Acid
Perma Kleer 50 Acid
Quastal Special
Questex 4H
SEQ 100
Sequestrene AA
Sequestric Acid
Sequestrol
Tetrine Acid
Titriplex
Titriplex II
Trilon BS
Trilon BW
Universne Acid
Versene
Versene Acid
Vinkeil 100
Warkeelate Acid
YD 30
ATC V03AB03
CID 6049
CAS 000060004
Drugbank ID DB00974
TTD Drug ID DNC000618
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Formula C10H16N2O8
Molweight 292.243
Atoms 20
LogP -2.0712
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 10
Pralidoxime

Java required.


Information Structure
Name Pralidoxime
Synonyms
EINECS 229-787-0
Pralidoxime
Pralidoximum
ATC V03AB04
CID 5353894
CAS 006735597
SMILES C[N+]1=C(C=CC=C1)C=NO
Formula C7H8N2O
Molweight 136.151
Atoms 11
LogP 0.1464
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 2
Thiosulfate

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Information Structure
Name Thiosulfate
Synonyms
Thiosulfate
Thiosulphate
ATC V03AB06
CID 1084
CAS 014383507
SMILES [O-]S([S-])(=O)=O
Formula O3S2
Molweight 112.128
Atoms 5
LogP 0.5098
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2E1Inhibitor 17222524
Sodium Nitrite

Java required.


Information Structure
Name Sodium nitrite
Synonyms
Anti-rust
Azotyn Sodowy
Caswell No. 782
CCRIS 559
Diazotizing Salts
Dusitan Sodny
EINECS 231-555-9
EPA Pesticide Chemical Code 076204
Erinitrit
Filmerine
HSDB 757
Natrium Nitrit
NCI-C02084
Nitrite De Sodium
Nitrito Sodico
NSC 77391
Sodium Nitrite
Synfat 1004
ATC V03AB08
CID 23668193
CAS 007632000
SMILES [O-]N=O
Formula NNaO2
Molweight 68.9953
Atoms 4
LogP 0.2506
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
Dimercaprol

Java required.


Information Structure
Name Dimercaprol
Synonyms
1,2-Dimercapto-3-propanol
1,2-Dithioglycerol
1-Propanol, 2,3-dimercapto-
2,3-Dimercapto-1-propanol
2,3-Dimercaptol-1-propanol
2,3-Dimercaptopropanol
2,3-Dithiopropanol
3-Hydroxy-1,2-propanedithiol
4-01-00-02770 (Beilstein Handbook Reference)
AI3-61820
alpha,beta-Dithioglycerol
Antoxol
BAL
BAL In Oil
British Antilewisite
BRN 1732058
CCRIS 3616
Dicaptol
Dimercaprol
Dimercaprol Propanol
Dimercaprolo
Dimercaprolum
Dimercaptopropanol
Dimercaptopropanol (VAN)
Dimerkaprol
Dimersol
Dithioglycerine
Dithioglycerol (VAN)
DMP
DMP (VAN)
EINECS 200-433-7
Glycerol, 1,2-dithio-
HSDB 4004
NSC 39515
Panobal
Sulfactin
Sulfactin (VAN)
USAF ME-1
ATC V03AB09
CID 3080
CAS 000059529
Drugbank ID DB06782
SMILES OC[C@H](S)CS
Formula C3H8OS2
Molweight 124.225
Atoms 6
LogP 0.2069
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 1
Obidoxime

Java required.


Information Structure
Name Obidoxime
Synonyms
4,4-Bis-(hydroxyiminomethyl)-1,1-oxydimethylen-dipyridinium-kation
Bis-(4-hydroxyiminomethyl-pyridinium-1-methyl)ether-kation
Obidoxim
Obidoxim Kation
Obidoxime
Obidoxime Tablets
Obidoximum
ATC V03AB13
CID 5485192
CAS 007683365
SMILES [O-]N=C/C1=CC=[N+](COC[N+]2=CC=C(C=C2)C=N/[O-])C=C1
Extrarenal fraction 0.85
Elimination half-life 1.4h
Naloxone

Java required.


Information Structure
Name Naloxone
Synonyms
1-N-Allyl-14-hydroxynordihydromorphinone
1-N-Allyl-7,8-dihydro-14-hydroxynormorphinone
12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furanone
17-Allyl-4,5-alpha-epoxy-3,14-dihydroxymorphinan-6-one
17-Allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one
BRN 1089071
EINECS 207-365-7
EN 1530 Base
HSDB 3279
l-N-Allyl-14-hydroxynordihydromorphinone
l-N-Allyl-7,8-dihydro-14-hydroxynormorphinone
l-Naloxone
Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy-
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-
Morphinan-6-one, 4,5alpha-epoxy-3,14-dihydroxy-17-(2-propenyl)-
N-Allyl-4,5alpha-epoxy-3,14-dihydroxy-6-morphinanon
N-Allyl-noroxymorphone
n-Allylnoroxymorphone
Nalossone
Naloxona
Naloxone
Naloxonum
Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, (-)-
NSC 70413
ATC V03AB15
CID 16682422
CAS 000465656
Drugbank ID DB01183
SMILES OC1=CC=C2C[C@H]3N(CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O)CC=C
Formula C19H21NO4
Molweight 327.374
Atoms 26
LogP 1.2393
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2C8Substrate 16010532
3A4Substrate 16010532
Phase2 interactions
NameReferences
UGT 2565214
Extrarenal fraction 1
Elimination half-life 1.2h
Ethanol

Java required.


Information Structure
Name Ethanol
Synonyms
1-Hydroxyethane
2-(4-chlorphenoxy)-ethanol
Absolute Ethanol
Aethanol
Aethylalkohol
AI3-01706
Alcohol
Alcohol (ethyl Alcohol)
Alcohol Dehydrated
Alcohol, Anhydrous
Alcohol, Diluted
Alcohol, Ethyl
Alcohols
Alcool Ethylique
Alcool Etilico
Algrain
Alkohol
Alkoholu Etylowego
Anhydrol
Caswell No. 430
CCRIS 945
Cologne Spirit
Denatured Alcohol
Denatured Alcohol CD-10
Denatured Alcohol CD-5
Denatured Alcohol CD-5a
Denatured Alcohol SD-1
Denatured Alcohol SD-13a
Denatured Alcohol SD-17
Denatured Alcohol SD-23a
Denatured Alcohol SD-28
Denatured Alcohol SD-30
Denatured Alcohol SD-39b
Denatured Alcohol SD-39c
Denatured Alcohol SD-3a
Denatured Alcohol SD-40m
Denatured Ethanol
Distilled Spirits
EINECS 200-578-6
EPA Pesticide Chemical Code 001501
Etanolo
Ethanol
Ethanol 200 Proof
Ethanol Solution
Ethanol, Undenatured
Ethyl Alcohol
Ethyl Alcohol & Water, 10%
Ethyl Alcohol & Water, 20%
Ethyl Alcohol & Water, 30%
Ethyl Alcohol & Water, 40%
Ethyl Alcohol & Water, 5%
Ethyl Alcohol & Water, 50%
Ethyl Alcohol & Water, 60%
Ethyl Alcohol & Water, 70%
Ethyl Alcohol & Water, 80%
Ethyl Alcohol & Water, 95%
Ethyl Alcohol & Water, 96%
Ethyl Alcohol Anhydrous
Ethyl Alcohol Usp
Ethyl Alcohol, Undenatured
Ethyl Hydrate
Ethyl Hydroxide
Ethylalcohol
EtOH
Etylowy Alkohol
FEMA No. 2419
FEMA Number 2419
Fermentation Alcohol
Grain Alcohol
HSDB 82
Hydroxyethane
Jaysol S
Methylcarbinol
Molasses Alcohol
NCI-C03134
NSC 85228
Potato Alcohol
SD Alchol 23-hydrogen
Spirits Of Wine
Tecsol
Tecsol C
ATC B05XX04
D01AE06
D08AX08
V03AB16
V03AZ01
V07AB03
CID 702
CAS 000064175
Drugbank ID DB00898
TTD Drug ID DAP000681
Herbal origin all-grass of wrinkled gianthyssop
Jiao San Xian
Song Shi
SMILES CCO
Formula C2H6O
Molweight 46.0684
Atoms 3
LogP -0.0014
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 1
CYP interactions
NameRelationsReferences
1A1Inhibitor 9929510
1A2Substrate 9884161
11236840
11996015
2B6Inhibitor 9929510
2C9Inhibitor 10611138
2C19Inhibitor 9929510
2E1Substrate Inhibitor Inducer siehe zettel
15309892
8659683
12707490
7802633
10872641
10064561
10667633
12707490
11684359
15056802
3A4Substrate Inhibitor Inducer 15285839
10064561
11762131
9802319
12824820
7574728
7574728
9802319
11236840
11996015
4A11Inducer 10773044
19AInducer 12095950
Phase2 interactions
NameReferences
UGT 2502946
Transporter
AC-No.NameReferences
A2RUN4SLC6A3 12070173
A5D8U6ABCA1 protein 17478430
P11166Solute carrier family 2, facilitated glucose transporter member 1 10516136
P14672SLC2A4 18719073
P30531GAT-119841904
P33527Multidrug resistance-associated protein 121039635
P41440Folate transporter 1 17449590
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier) 15329462
Q8IWA5Choline transporter-like protein 221367571
Methylthioninium Chloride

Java required.


Information Structure
Name Methylthioninium chloride
Synonyms
3,7-Bis (dimethylamino) Phenazathionium Chloride
3,7-Bis(dimethylamino)-phenazathionium Chloride
3,7-Bis(dimethylamino)phenothiazin-5-ium Chloride
Aizen Methylene Blue BH
Aizen Methylene Blue FZ
Basic Blue 9
Bleu De Methylene
C.I. 52015
C.I. Basic Blue 9
Calcozine Blue ZF
Caswell No. 567
CCRIS 833
Ceruleum Methylenum
Chlorure De Methylthioninium
Chromosmon
CI 52015
CI Basic Blue 9
Cloruro De Metiltioninio
D And C Blue No. 1
D And C Blue Number 1
EINECS 200-515-2
EPA Pesticide Chemical Code 039505
Ext D And C Blue No. 1
External Blue 1
Hidaco Methylene Blue Salt Free
HSDB 1405
Leather Pure Blue HB
M-B Tabs
Methylenblau
Methylene Blue
Methylene Blue (medicinal)
Methylene Blue 2B
Methylene Blue 2BF
Methylene Blue 2BN
Methylene Blue 2BP
Methylene Blue A
Methylene Blue Anhydrous
Methylene Blue B
Methylene Blue BB
Methylene Blue BB (zinc Free)
Methylene Blue BBA
Methylene Blue BD
Methylene Blue BP
Methylene Blue BPC
Methylene Blue BX
Methylene Blue BZ
Methylene Blue Chloride
Methylene Blue Chloride (biological Stain)
Methylene Blue D
Methylene Blue FZ
Methylene Blue G
Methylene Blue GZ
Methylene Blue HGG
Methylene Blue I (medicinal)
Methylene Blue IAD
Methylene Blue JFA
Methylene Blue N
Methylene Blue NF (medicinal)
Methylene Blue NZ
Methylene Blue Polychrome
Methylene Blue SG
Methylene Blue SP
Methylene Blue USP (medicinal)
Methylene Blue USP XII (medicinal)
Methylene Blue ZF
Methylene Blue Zinc Free
Methylene Blue ZX
Methylenium Ceruleum
Methylenum Coeruleum
Methylthionine
Methylthionine Chloride
Methylthionini Chloridum
Methylthioninii Chloridum
Methylthioninium Chloride
Methylthionium Chloride
Metiltioninio Cloruro
Mitsui Methylene Blue
Modr Methylenova
Modr Rozpoustedlova 8
Modr Zasadita 9
NSC 215213
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, Chloride
Sandocryl Blue BRL
Schultz No. 1038
Solvent Blue 8
Swiss Blue
Tetramethylene Blue
Tetramethylthionine Chloride
Urolene Blue
X 138
Yamamoto Methylene Blue B
Yamamoto Methylene Blue ZF
ATC V03AB17
V04CG05
CID 6099
CAS 000061734
SMILES CN(C)C1=CC=C2N=C3C=CC(=CC3=[S+]C2=C1)N(C)C
Formula C16H18ClN3S
Molweight 319.852
Atoms 21
LogP -0.4971
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
A2RUN4SLC6A3 12070173
A5D8U6ABCA1 protein 17478430
P11166Solute carrier family 2, facilitated glucose transporter member 1 10516136
P14672SLC2A4 18719073
P30531GAT-119841904
P33527Multidrug resistance-associated protein 121039635
P41440Folate transporter 1 17449590
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier) 15329462
Q8IWA5Choline transporter-like protein 221367571
Potassium Permanganate

Java required.


Information Structure
Name Potassium permanganate
Synonyms
AI3-52835
Algae-K
Argucide
C.I. 77755
Cairox
Caswell No. 699
CCRIS 5561
Chameleon Mineral
CI 77755
Condys Crystals
Diversey Diversol CX With Arodyne
Diversey Diversol CXU
EINECS 231-760-3
EPA Pesticide Chemical Code 068501
Hilco #88
HSDB 1218
Icc 237 Disinfectant, Sanitizer, Destainer, And Deodorizer
Insta-perm
Kaliumpermanganat
Manganese Potassium Oxide (KMnO4)
NSC 146182
Permanganate De Potassium
Permanganate Of Potash
Permanganato Potasico
Potassio (permanganato Di)
Potassium (permanganate De)
Potassium Permanganate
Potassium Permanganate (KMnO4)
Pure Light E 2
Solo San Soo
Walko Tablets
ATC D08AX06
V03AB18
CID 516875
CAS 007722647
SMILES [O-][Mn](=O)(=O)=O
Formula KMnO4
Molweight 158.034
Atoms 6
LogP -0.4752
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
A2RUN4SLC6A3 12070173
A5D8U6ABCA1 protein 17478430
P11166Solute carrier family 2, facilitated glucose transporter member 1 10516136
P14672SLC2A4 18719073
P30531GAT-119841904
P33527Multidrug resistance-associated protein 121039635
P41440Folate transporter 1 17449590
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier) 15329462
Q8IWA5Choline transporter-like protein 221367571
Physostigmine

Java required.


Information Structure
Name Physostigmine
Synonyms
(3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-ol Methylcarbamate (ester)
1,2,3,3abeta,8abeta-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)-indol-5-yl Methylcarbamate
Antilirium
Calabarine
Carbamic Acid, Methyl-, Ester With Eseroline
CCRIS 3422
CS 58525
EINECS 200-332-8
Eserine
Eserolein, Methylcarbamate (ester)
Esromiotin
Ezerin
Fysostigmin
HSDB 3161
MCV 4484
Methyl-carbamic Acid, Ester With Eseroline
NIH 10421
NSC 30782
Physostigmine
Physostol
Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, Methylcarbamate (ester), (3aS-cis)-
ATC S01EB05
V03AB19
CID 5983
CAS 000057476
Drugbank ID DB00981
TTD Drug ID DAP000561
SMILES CNC(=O)OC1=CC2=C(C=C1)N(C)[C@H]3N(C)CC[C@@]23C
Formula C15H21N3O2
Molweight 275.346
Atoms 21
LogP 2.1677
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
3A4Inhibitor 11514953
3A5Inhibitor 11514953
Phase2 interactions
NameReferences
MET 1886293,
8978720
Transporter
AC-No.NameReferences
Q16572Vesicular acetylcholine transporter 22640809
Copper Sulfate

Java required.


Information Structure
Name Copper sulfate
Synonyms
All Clear Root Destroyer
Aqua Maid Permanent Algaecide
Aquatronics Snail-A-Cide Dri-Pac Snail Powder
BCS Copper Fungicide
Blue Copper
Blue Copper (VAN)
Blue Stone
Blue Vitriol
Bonide Root Destroyer
CCRIS 3665
Copper (II) Sulfate (1:1)
Copper Monosulfate
Copper Sulfate
Copper Sulfate (1:1)
Copper Sulfate (CuSO4)
Copper Sulfate Powder
Copper(2+) Sulfate
Copper(2+) Sulfate (1:1)
Copper(II) Sulfate
Cupric Sulfate
Cupric Sulfate Anhydrous
Cupric Sulphate
Delcup
EINECS 231-847-6
Granular Crystals Copper Sulfate
HSDB 916
Hylinec
Incracide 10A
Incracide E 51
Kupfersulfat
MAC 570
Monocopper Sulfate
NSC 57630
Phelps Triangle Brand Copper Sulfate
Roman Vitriol
Sa-50 Brand Copper Sulfate Granular Crystals
Snow Crystal Copper Sulfate
Sulfate De Cuivre
Sulfuric Acid, Copper(2+) Salt (1:1)
Tobacco States Brand Copper Sulfate
Trinagle
ATC V03AB20
CID 24462
CAS 007758987
SMILES [O-]S([O-])(=O)=O
Formula CuO4S
Molweight 159.609
Atoms 6
LogP -0.2597
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
O15431High affinity copper uptake protein 120631178
Potassium Iodide

Java required.


Information Structure
Name Potassium iodide
Synonyms
AI3-52931
Asmofug E
Caswell No. 694
Dipotassium Diiodide
EINECS 231-659-4
EPA Pesticide Chemical Code 075701
HSDB 5040
Iodure De Potassium
Joptone
K1-N
Kali Iodide
Kalii Iodidum
Kisol
Knollide
NSC 77362
Pima
Potassium Diiodide
Potassium Iodide
Potassium Iodide (K(I2))
Potassium Iodide (K2I2)
Potassium Iodide (K3I3)
Potassium Iodide (KI)
Potassium Monoiodide
Potide
Thyro-Block
Tripotassium Triiodide
ATC R05CA02
S01XA04
V03AB21
CID 4875
CAS 007681110
Drugbank ID DB06715
SMILES [K+].[I-]
Formula IK
Molweight 166.003
Atoms 2
LogP -2.996
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 0
Transporter
AC-No.NameReferences
O15431High affinity copper uptake protein 120631178
Amyl Nitrite

Java required.


Information Structure
Name Amyl nitrite
Synonyms
3-Methylbutanol Nitrite
3-Methylbutyl Nitrite
4-01-00-01683 (Beilstein Handbook Reference)
AI3-25183
Amilnitrite
Amyl Nitrite
Amyl Nitrite (VAN)
Aspiral
BRN 0969510
CCRIS 1098
EINECS 203-770-8
HSDB 606
Isoamyl Nitrite
Isopentyl Nitrite
Nitramyl
Nitramyl (VAN)
Nitrous Acid, 3-methylbutyl Ester
Nitrous Acid, Isopentyl Ester
NSC 7903
Pentanoli Nitris
Vaporole
ATC V03AB22
CID 8053
CAS 000110463
SMILES CC(C)CCON=O
Formula C5H11NO2
Molweight 117.146
Atoms 8
LogP 1.7305
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Phase2 interactions
NameReferences
GST 8960071
Transporter
AC-No.NameReferences
O15431High affinity copper uptake protein 120631178
Acetylcysteine

Java required.


Information Structure
Name Acetylcysteine
Synonyms
5052
Acetein
Acetilcisteina
Acetylcysteine
Acetylcysteinum
Airbron
Broncholysin
Brunac
CCRIS 3764
component Of Naxid
Cysteine, N-acetyl-, L-
DRG-0100
EINECS 210-498-3
Fabrol
Fluimicil Infantil
Fluimucetin
Fluimucil
Flumucetin
Fluprowit
HSDB 3003
Inspir
L-Acetylcysteine
L-alpha-Acetamido-beta-mercaptopropionic Acid
L-Cysteine, N-acetyl-
Lysomucil
Mercapturic Acid
Mercapturic Acid, (R)-
Mucofilin
Mucolyticum Lappe
Mucolyticum-Lappe
Mucolytikum Lappe
Mucomyst
Mucosil
Mucosolvin
N-Acetyl Cysteine
N-Acetyl-3-mercaptoalanine
N-Acetyl-L-cysteine
N-Acetylcysteine
NAC
NAC-TB
NSC 111180
Parvolex
Respaire
ATC R05CB01
S01XA08
V03AB23
CID 12035
CAS 000616911
Drugbank ID DB00151
TTD Drug ID DNC000981
SMILES CC(=O)N[C@H](CS)C(O)=O
Formula C5H9NO3S
Molweight 163.195
Atoms 11
LogP -0.1036
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 116984740
Q86UG4Organic anion-transporting polypeptide 6A1 8339252
Extrarenal fraction 0.7
Elimination half-life 2h
Flumazenil

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Information Structure
Name Flumazenil
Synonyms
Anexate
BRN 4763661
Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
Ethyl 8-fluoro-5-methyl-5,6-dihydro-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
Flumazenil
Flumazenilo
Flumazenilum
Flumazepil
Lanexat
Ro 151788
Ro-15-1788
Romazicon
ATC V03AB25
CID 3373
CAS 078755814
Drugbank ID DB01205
TTD Drug ID DAP000685
SMILES CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1
Formula C15H14FN3O3
Molweight 303.288
Atoms 22
LogP 1.7116
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 116984740
Q86UG4Organic anion-transporting polypeptide 6A1 8339252
Extrarenal fraction 1
Elimination half-life 0.8h
Methionine

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Information Structure
Name Methionine
Synonyms
(L)-Methionine
(S)-2-Amino-4-(methylthio)butanoic Acid
2-Amino-4-(methylthio)butyric Acid, (S)-
2-Amino-4-methylthiobutanoic Acid (S)-
Butanoic Acid, 2-amino-4-(methylthio)-, (S)-
CCRIS 5528
CCRIS 5536
Cymethion
EINECS 200-562-9
h-Met-h
HSDB 4317
L(-)-Amino-gamma-methylthiobutyric Acid
L-(-)-Methionine
L-alpha-Amino-gamma-methylmercaptobutyric Acid
L-alpha-Amino-gamma-methylthiobutyric Acid
L-gamma-Methylthio-alpha-aminobutyric Acid
L-Homocysteine, S-methyl-
L-Methionine
L-Methioninum
Liquimeth
MET
Methilanin
Methionine
Methionine (VAN)
Methioninum
Metionina
Neo-methidin
NSC 22946
S-Methionine
Toxin WAR (Bacillus Thuringiensis Strain PS205C)
ATC V03AB26
CID 6137
CAS 000063683
Drugbank ID DB00134
Herbal origin all-grass of Heavyspike Loosestrife
stem of Kadsura Pepper
white seed of Oriental Sesame
SMILES CSCC[C@H](N)C(O)=O
Formula C5H11NO2S
Molweight 149.211
Atoms 10
LogP 0.8517
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Phase2 interactions
NameReferences
GST 15867277,
19488683
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 116984740
Q86UG4Organic anion-transporting polypeptide 6A1 8339252
4-dimethylaminophenol

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Information Structure
Name 4-dimethylaminophenol
Synonyms
4-(Dimethylamino)phenol
4-dimethylaminophenol
DMAP
DMAP (antidote)
EINECS 210-604-8
N,N-Dimethyl-4-aminophenol
N,N-Dimethyl-p-hydroxyaniline
p-(Dimethylamino)phenol
p-Hydroxy-N,N-dimethylaniline
ATC V03AB27
CID 22174
CAS 000619603
SMILES CN(C)C1=CC=C(O)C=C1
Formula C8H11NO
Molweight 137.179
Atoms 10
LogP 1.4582
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 1
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 116984740
Q86UG4Organic anion-transporting polypeptide 6A1 8339252
Prussian Blue

Java required.


Information Structure
Name Prussian blue
Synonyms
EINECS 237-875-5
Ferrate(1-), Hexakis(cyano-C)di-
Ferrate(4-), Hexakis(cyano-C)-, Iron(3+) (3:4)
Ferric Ferrocyanide
Ferric Hexacyanoferrate (II)
Ferrihexacyanoferrate
Ferrihexacyanoferrate (VAN)
Ferrocin
Ferrotsin
Iron Ferrocyanide
Iron Ferrocyanide (Fe4(Fe(CN)6)3)
Iron Hexacyanoferrate
Iron(3 ) Hexacyanoferrate(4-) (4:3)
Iron(3+) Ferrocyanide
Iron(III) Ferrocyanide
Milori Blue
NSC 8665
Prussian Blue
Prussian Blue (Fe4(Fe(CN)6)3)
Radiogardase
Tetrairon Tris(hexacyanoferrate)
Tetrairon(3+) Tris(hexacyanoferrate(4-))
ATC V03AB31
CID 11957372
CAS 014038438
SMILES [C-]#N
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 116984740
Q86UG4Organic anion-transporting polypeptide 6A1 8339252
Glutathione

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Information Structure
Name Glutathione
Synonyms
CCRIS 2094
Copren
Deltathione
EINECS 200-725-4
gamma-L-Glutamyl-L-cysteinylglycine
gamma-L-Glutamylcysteinylglycine
Glutathion
Glutathione
Glutathione (reduced)
Glutathione SH
Glutathione-SH
Glutatiol
Glutatione
Glutide
Glutinal
GSH
Isethion
L-Glutathione
L-Glutatione
Ledac
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine
Neuthion
NSC 400639
Panaron
Reduced Glutathione
Tathion
Tathione
Triptide
ATC V03AB32
CID 445616
CAS 000070188
Herbal origin Gua Zai Hua
SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Formula C10H17N3O6S
Molweight 307.323
Atoms 22
LogP -0.724
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 9
CYP interactions
NameRelationsReferences
19AInducer 10979580
Transporter
AC-No.NameReferences
P08183ATP-binding cassette sub-family B member 110773025
P33527Multidrug resistance-associated protein 118775981
Q86UG4Cancer/testis antigen 48 2317812
Q8TCC7Solute carrier family 22 member 817719021
Q8WWH1ATP-binding cassette transporter 12130697
Q92887Canalicular multispecific organic anion transporter 117668877
Q9UNQ0ATP-binding cassette sub-family G member 220332504
Hydroxocobalamin

Java required.


Information Structure
Name Hydroxocobalamin
Synonyms
Alpha Cobione
alpha-(5,6-Dimethylbenzimidazolyl)hydroxocobamide
AlphaRedisol
Axion
Axlon
Ciplamin H
Cobalamin, Hydroxo-
Cobalex
Cobinamide Dihydroxide Dihydrogen Phosphate (ester), Mono(inner Salt), 3-ester With 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole
Cobinamide Hydroxide Phosphate 3-ester With 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole Inner Salt
Cobinamide, Dihydroxide, Dihydrogen Phosphate (ester), Mono(inner Salt), 3-ester With 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
Codroxomin
Depogamma
Docclan
Docelan
Docelvita
Docevita
Ducobee-Hy
Duradoce
Duralta-12
EINECS 236-533-2
Hidroxocobalamina
HSDB 3342
Hydrobamine
Hydrocobalamin
Hydrogrisevit
Hydrovit
Hydroxocobalamin
Hydroxocobalamine
Hydroxocobalaminum
Hydroxocobemine
Hydroxy Vitamin B12
Hydroxycobalamin
Hydroxycobalamine
Hyxobamine
Idrogrisevit
Idrossocobalamina
Lyovit-H
Neo-Betalin 12
Neo-cytamen
Neo-macrabin
Neo-rojamin
OH-Duphar
Ohb12
Oxobemin
Oxolamine (arcum)
Primabalt RP
Redisol-H
Sytobex-H
Vibeden
Vitadurin
Vitamin B(sub 12a)
Vitamin B12a
ATC B03BA03
V03AB33
CID 11953898
CAS 013422510
TTD Drug ID DAP001336
SMILES CC(CNC(=O)CCC1(C)C(CC(N)=O)[C+]2N([Co+]O)C1=C(C)C3=NC(=CC4=NC(=C(C)C5=NC2(C)C(C)(CC(N)=O)C5CCC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(C)C3CCC(N)=O)OP([O-])(=O)OC6C(O)C(OC6CO)N7C=NC8=C7C=C(C)C(C)=C8
Formula C62H90CoN13O15P
Molweight 1347.36
Atoms 92
LogP 6.5512
Rotatable Bonds 27
H-Bond Donors 0
H-Bond Acceptors 27
Transporter
AC-No.NameReferences
P08183ATP-binding cassette sub-family B member 110773025
P33527Multidrug resistance-associated protein 118775981
Q86UG4Cancer/testis antigen 48 2317812
Q8TCC7Solute carrier family 22 member 817719021
Q8WWH1ATP-binding cassette transporter 12130697
Q92887Canalicular multispecific organic anion transporter 117668877
Q9UNQ0ATP-binding cassette sub-family G member 220332504
Fomepizole

Java required.


Information Structure
Name Fomepizole
Synonyms
4-Methylpyrazol
4-Methylpyrazole
5-23-05-00031 (Beilstein Handbook Reference)
Antizol
BRN 0105204
EINECS 231-445-0
Fomepizol
Fomepizole
Fomepizolum
ATC V03AB34
CID 3406
CAS 007554656
Drugbank ID DB01213
TTD Drug ID DAP000568
SMILES CC1=CNN=C1
Formula C4H6N2
Molweight 82.1038
Atoms 6
LogP 0.7181
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2A6Inhibitor 9143352
2E1Inhibitor 15310247
12386121
10729359
10828259
8886607
9884161
Transporter
AC-No.NameReferences
P08183ATP-binding cassette sub-family B member 110773025
P33527Multidrug resistance-associated protein 118775981
Q86UG4Cancer/testis antigen 48 2317812
Q8TCC7Solute carrier family 22 member 817719021
Q8WWH1ATP-binding cassette transporter 12130697
Q92887Canalicular multispecific organic anion transporter 117668877
Q9UNQ0ATP-binding cassette sub-family G member 220332504
Phentolamine

Java required.


Information Structure
Name Phentolamine
Synonyms
2-((N-(m-Hydroxyphenyl)-p-toluidino)methyl)-2-imidazoline
2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline
2-(N-(m-Hydroxyphenyl)-p-toluidinomethyl)imidazoline
2-(N-p-Tolyl-N-m-hydroxyphenylaminomethyl)-2-imidazoline
2-Imidazoline, 2-((N-(m-hydroxyphenyl)-p-toluidino)methyl)-
5-25-09-00365 (Beilstein Handbook Reference)
BRN 0272944
C 7337
C 7337 Ciba
Dibasin
EINECS 200-053-1
Fentolamin
Fentolamina
HSDB 3382
Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-
Phenol, M-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-
Phentolamine
Phentolaminum
Regitin
Regitine
ATC C04AB01
G04BE05
V03AB36
CID 5775
CAS 000050602
Drugbank ID DB00692
TTD Drug ID DAP000299
SMILES CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(O)=CC=C3
Formula C17H19N3O
Molweight 281.352
Atoms 21
LogP 2.6048
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P08183ATP-binding cassette sub-family B member 110773025
P33527Multidrug resistance-associated protein 118775981
Q86UG4Cancer/testis antigen 48 2317812
Q8TCC7Solute carrier family 22 member 817719021
Q8WWH1ATP-binding cassette transporter 12130697
Q92887Canalicular multispecific organic anion transporter 117668877
Q9UNQ0ATP-binding cassette sub-family G member 220332504
Atropine

Java required.


Information Structure
Name Atropine
Synonyms
(+,-)-Tropyl Tropate
1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester)
2-Phenylhydracrylic Acid 3-alpha-tropanyl Ester
AI3-60219
alpha-(Hydroxymethyl)benzeneacetic Acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl Ester
Atropin
Atropin-flexiolen
Atropina
Atropine
Atropinol
Benzeneacetic Acid, Alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl Ester, Endo-(+-)-
beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester
beta-Phenyl-gamma-oxypropionsaure-tropyl-ester
CCRIS 3080
dl-Hyoscyamine
DL-Tropanyl 2-hydroxy-1-phenylpropionate
dl-Tropyltropate
EINECS 200-104-8
Eyesules
HSDB 2199
Isopto-atropine
Tropic Acid, 3-alpha-tropanyl Ester
Tropic Acid, Ester With Tropine
Tropine Tropate
Tropine, Tropate (ester)
Troyl Tropate
ATC A03BA01
G04BD10
S01FA01
V03AB44
CID 6321299
CAS 000051558
Herbal origin Datura Flower
Funneled Physochlaina Root
root of corydalis
SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@@H](CO)C3=CC=CC=C3
Formula C17H23NO3
Molweight 289.369
Atoms 24
LogP 1.8688
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Inhibitor 10589372
Transporter
AC-No.NameReferences
P08183ATP-binding cassette sub-family B member 110773025
P33527Multidrug resistance-associated protein 118775981
Q86UG4Cancer/testis antigen 48 2317812
Q8TCC7Solute carrier family 22 member 817719021
Q8WWH1ATP-binding cassette transporter 12130697
Q92887Canalicular multispecific organic anion transporter 117668877
Q9UNQ0ATP-binding cassette sub-family G member 220332504
Extrarenal fraction 0.45
Elimination half-life 2h
Apomorphine

Java required.


Information Structure
Name Apomorphine
Synonyms
(-)-10,11-Dihydroxyaporphine
(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (R)-
6abeta-Aporphine-10,11-diol
Apomorfin
Apomorphin
Apomorphine
EINECS 200-360-0
HSDB 3289
L-Apomorphine
R-(-)-Apomorphine
Uprima
ATC G04BE07
N04BC07
V03AB45
CID 6005
CAS 000058004
Drugbank ID DB00714
TTD Drug ID DNC000241
SMILES CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(O)=C(O)C=C4
Formula C17H17NO2
Molweight 267.322
Atoms 21
LogP 2.7878
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
Phase2 interactions
NameReferences
NAT 1686620,
20504441
SUL 14660177,
14660177,
12564743,
12162854
Transporter
AC-No.NameReferences
Q05940Vesicular amine transporter 2 15178358
Extrarenal fraction 0.6
Elimination half-life 2h