Compound - Results

Pilocarpine

Java required.


Information Structure
Name Pilocarpine
Synonyms
(3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone
2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-
AI3-50523
EINECS 202-128-4
HSDB 3163
Imidazole-5-butyric Acid, Alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, Gamma-lactone
Ocusert P 20
Ocusert Pilo
Pilocarpin
Pilocarpine
Pilocarpol
Pilokarpin
Pilokarpol
Syncarpine
ATC N07AX01
S01EB01
S01XA25
CID 5910
CAS 000092137
Drugbank ID DB01085
TTD Drug ID DAP001113
SMILES CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
Formula C11H16N2O2
Molweight 208.257
Atoms 17
LogP 1.1618
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2A6Substrate Inhibitor 11978200
8590980
17178767
2E1Substrate umm
3A4Substrate Inhibitor umm
7773543
Carbachol

Java required.


Information Structure
Name Carbachol
Synonyms
(2-Carbamoyloxyethyl)trimethylammonium Chloride
(2-Hydroxyethyl)trimethyl Ammonium Chloride Carbamate
(2-Hydroxyethyl)trimethylammonium Chloride Carbamate
2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium Chloride
2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum Chloride
Carbach
Carbachol
Carbachol Chloride
Carbachol Hydrochloride
Carbacholin
Carbacholine
Carbacholine Chloride
Carbacholini Chloridum
Carbacholinium Chloratum
Carbacholinum
Carbacholum
Carbacholum Chloratum
Carbacol
Carbacolina
Carbacolo
Carbamic Acid, Ester With Choline Chloride
Carbaminocholine Chloride
Carbaminoylcholine Chloride
Carbamiotin
Carbamoylcholine Chloride
Carbamoylcholine-hydrochloride
Carbamylcholine Chloride
Carbochol
Carbocholin
Carbocholine
Carbyl
Carcholin
Choline Carbamate Chloride
Choline Chloride, Carbamate
Choline Chloride, Carbamoyl-
Choline Chlorine Carbamate
Choline, Chloride Carbamate(ester)
Choline, Chloride, Carbamate, Hydrochloride
Coletyl
Doryl
Doryl (pharmaceutical)
Doryl (VAN)
EINECS 200-127-3
Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, Chloride
gamma-Carbamoyl Choline Chloride
HSDB 6373
Isopto Carbachol
Jestryl
Karbachol
Karbamoylcholin Chlorid
Lentin
Lentine
Miostat
Mistura C
Moryl
NSC 32865
P. V. Carbachol
Rilentol
TL 457
Vasoperif
ATC N07AB01
S01EB02
CID 521353
CAS 000051832
SMILES C[N+](C)(C)CCOC(N)=O
Formula C6H15ClN2O2
Molweight 182.648
Atoms 11
LogP -2.5078
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Phase2 interactions
NameReferences
NAT 1787877
Transporter
AC-No.NameReferences
C9J6Y3SLC26A6 21956166
Ecothiopate

Java required.


Information Structure
Name Ecothiopate
Synonyms
(2-Mercaptoethyl)trimethylammonium S-ester With O,O-diethylphosphorothioate
BRN 1794025
Echothiophate
Ecothiopate
Ecothiopatum
Phospholine
ATC S01EB03
CID 10547
CAS 006736034
Drugbank ID DB01057
TTD Drug ID DAP000962
SMILES CCOP(=O)(OCC)SCC[N+](C)(C)C
Formula C9H23INO3PS
Molweight 383.227
Atoms 16
LogP -0.3891
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
C9J6Y3SLC26A6 21956166
Demecarium

Java required.


Information Structure
Name Demecarium
Synonyms
(m-Hydroxyphenyl)trimethylammonium Bromide Decamethylenebis(methylcarbamate)
(m-Hydroxyphenyl)trimethylammonium Bromide Decamethylenebis(methylcarbamate) (2:1)
Ammonium, (m-hydroxyphenyl)trimethyl-, Bromide, Decamethylenebis(methylcarbamate) (2:1)
BC 48
Benzenaminium, 3,3-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethyl-, Dibromide
Bromure De Demecarium
Bromuro De Demecario
Decamethylenebis(m-dimethylaminophenyl-N-methylcarbamate) Dimethobromide
Decamethylenebis(N-methylcarbamic Acid M-dimethylaminophenyl Ester) Bromomethylate
Demecarii Bromidum
Demecarium
Demecarium Bromide
Demekarium Bromide
Demekastigmine Bromide
EINECS 200-301-9
Frumtosnil
HSDB 2168
Humorsol
N,N-Bis(3-trimethylammoniumphenoxycarbonyl)-N,N-dimethyldecamethylenediamine Dibromide
Tonilen
Tosmicil
Tosmilen
Tosmilene
Visumatic
Visumiotic
ATC S01EB04
CID 5965
CAS 000056940
Drugbank ID DB00944
TTD Drug ID DAP000894
SMILES CN(CCCCCCCCCCN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C)C(=O)OC2=CC(=CC=C2)[N+](C)(C)C
Formula C32H52Br2N4O4
Molweight 716.588
Atoms 42
LogP 0.7702
Rotatable Bonds 19
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
C9J6Y3SLC26A6 21956166
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
Q16572Solute carrier family 18 member 3 22640809
Neostigmine

Java required.


Information Structure
Name Neostigmine
Synonyms
(m-Hydroxyphenyl)trimethylammonium Dimethylcarbamate (ester)
3-Trimethylammoniumphenyl N,N-dimethylcarbamate
Ammonium, (m-hydroxyphenyl)trimethyl-, Dimethylcarbamate (ester)
Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-
BRN 3615946
CCRIS 3079
Eustigmin
Eustigmine
HSDB 3921
Intrastigmina
Juvastigmin
m-Trimethylammoniumphenyldimethylcarbamate
Neostigmin
Neostigmine
Neostigminum
Prostigmin
Prostigmine
Vagostigmine
ATC N07AA01
S01EB06
CID 4456
CAS 000059994
Drugbank ID DB01400
TTD Drug ID DAP000563
SMILES CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C
Formula C12H19N2O2
Molweight 223.291
Atoms 16
LogP 1.9437
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
3A4Inhibitor 11913717
3A5Inhibitor 11913717
3A7Inhibitor 11913717
Transporter
AC-No.NameReferences
Q16572Solute carrier family 18 member 3 22640809
Extrarenal fraction 0.45
Elimination half-life 1.3h
Fluostigmine

Java required.


Information Structure
Name Fluostigmine
Synonyms
4-01-00-01480 (Beilstein Handbook Reference)
BRN 1723307
DFP
Diflupyl
Diflurophate
Diisopropoxyphosphoryl Fluoride
Diisopropyl Fluorophosphonate
Diisopropyl Phosphofluoridate
Diisopropyl Phosphorofluoridate
Diisopropylfluorfosfat
Diisopropylfluorophosphate
Diisopropylfluorophosphoric Acid Ester
Diisopropylfluorphosphorsaeureester
Diisopropylphosphorofluoridate
Dyflos
EA 1152
EINECS 200-247-6
Floropryl
Fluophosphoric Acid, Diisopropyl Ester
Fluorodiisopropyl Phosphate
Fluorophosphoric Acid, Diisopropyl Ester
Fluostigmine
HSDB 2133
Isofluorophate
Isoflurophate
Isoflurophosphate
Isopropyl Fluophosphate
Isopropyl Phosphorofluoridate
Neoglaucit
O,O-Diisopropyl Fluorophosphate
O,O-Diisopropyl Phosphoryl Fluoride
PF-3
Phosphorofluoridic Acid, Bis(1-methylethyl) Ester
Phosphorofluoridic Acid, Diisopropyl Ester
RCRA Waste Number P043
T-1703
TL 466
ATC S01EB07
CID 5936
CAS 000055914
Drugbank ID DB00677
TTD Drug ID DAP000896
SMILES CC(C)OP(F)(=O)OC(C)C
Formula C6H14FO3P
Molweight 184.146
Atoms 11
LogP 2.914
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
Q16572Solute carrier family 18 member 3 22640809
Aceclidine

Java required.


Information Structure
Name Aceclidine
Synonyms
1-Azabicyclo(2.2.2)octan-3-ol, Acetate
3-Acetoxyquinuclidine
3-Quinuclidinol Acetate
3-Quinuclidinol Acetate (ester)
Aceclidina
Aceclidine
Aceclidinum
AL 304
EINECS 212-574-1
ATC S01EB08
CID 1979
CAS 000827612
SMILES CC(=O)O[C@@H]1CN2CC[C@H]1CC2
Formula C9H15NO2
Molweight 169.221
Atoms 12
LogP 0.5816
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
Q16572Solute carrier family 18 member 3 22640809
Acetylcholin

Java required.


Information Structure
Name Acetylcholin
Synonyms
2-(Acetyloxy)-N,N,N-trimethylethanaminium
4-04-00-01446 (Beilstein Handbook Reference)
Acetyl Choline Cation
Acetyl Choline Ion
Acetylcholin
Acetylcholine
Acetylcholinum
ACh
BRN 1764436
Choline Acetate
EINECS 200-128-9
ATC N07AB03
S01EB09
CID 187
CAS 000051843
SMILES CC(=O)OCC[N+](C)(C)C
Formula C7H16NO2
Molweight 146.207
Atoms 10
LogP 0.2557
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2D6Substrate 9825837
Phase2 interactions
NameReferences
MET 9456
NAT 9634560
Transporter
AC-No.NameReferences
O15245hOCT111682442
O75751Solute carrier family 22 member 319702534
Q16572VAChT 11994133
Paraoxon

Java required.


Information Structure
Name Paraoxon
Synonyms
4-06-00-01327 (Beilstein Handbook Reference)
AI3-16087
BRN 1915526
CCRIS 7780
Chinorta
Chinorto
Diaethyl-p-nitrophenylphosphorsaeureester
Diethyl 4-nitrophenyl Phosphate
Diethyl P-nitrophenyl Phosphate
Diethyl Paraoxon
Diethyl-p-nitrofenyl Ester Kyseliny Fosforecne
Diethylparaoxon
E 600
E 600 (pesticide)
EINECS 206-221-0
ENT 16,087
Ester 25
Ethyl P-nitrophenyl Ethylphosphate
Ethyl Paraoxan
Ethyl Paraoxon
Eticol
Fosfakol
HC 2072
HSDB 6044
Mintaco
Mintacol
Mintisal
Miotisal
Miotisal A
NSC 404110
O,O-Diethyl O-p-nitrophenyl Phosphate
O,O-Diethyl Phosphoric Acid O-p-nitrophenyl Ester
O,O-Dietyl-O-p-nitrofenylfosfat
O,ODiaethyl-p-nitrophenylphosphat
Oxyparathion
p-Nitrophenyl Diethyl Phosphate
p-Nitrophenyl Diethylphosphate
Paraoxon
Paraoxone
Paroxan
Pestox 101
Phenol, P-nitro-, Ester With Diethyl Phosphate
Phosphachole
Phosphacol
Phosphakol
Phosphonothioic Acid, Diethylparanitrophenyl Ester
Phosphoric Acid Diethyl 4-nitrophenyl Ester
Phosphoric Acid, Diethyl P-nitrophenyl Ester
RCRA Waste Number P041
Soluglacit
Soluglaucit
TS 219
ATC S01EB10
CID 9395
CAS 000311455
SMILES CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O
Formula C10H14NO6P
Molweight 275.195
Atoms 18
LogP 3.6779
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 6
CYP interactions
NameRelationsReferences
1A2Substrate 16757081
2C8Substrate 12669189
16757081
2E1Substrate 8615874
3A4Substrate 16757081
3A5Substrate 16757081
Transporter
AC-No.NameReferences
O15245hOCT111682442
O75751Solute carrier family 22 member 319702534
Q16572VAChT 11994133