Compound - Results

Cetylpyridinium

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Information Structure
Name Cetylpyridinium
Synonyms
5-20-05-00233 (Beilstein Handbook Reference)
BRN 1431415
Ceepryn
Cetylpyridinium
Cetylpyridinum
N-Hexadecylpyridinium
ATC B05CA01
D08AJ03
D09AA07
R02AA06
CID 2683
CAS 007773526
SMILES CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
Formula C21H38N
Molweight 304.533
Atoms 22
LogP 6.4554
Rotatable Bonds 15
H-Bond Donors 0
H-Bond Acceptors 0
Chlorhexidine

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Information Structure
Name Chlorhexidine
Synonyms
1,1-Hexamethylenebis(5-(p-chlorophenyl)biguanide)
1,6-Bis(5-(p-chlorophenyl)biguandino)hexane
1,6-Bis(p-chlorophenyldiguanido)hexane
1,6-Di(4-chlorophenyldiguanido)hexane
2,4,11,13-Tetraazatetradecanediimidamide, N,N-bis(4-chlorophenyl)-3,12-diimino-
4-12-00-01201 (Beilstein Handbook Reference)
BRN 2826432
Chlorhexidin
Chlorhexidine
Chlorhexidinum
Cloresidina
Clorhexidina
EINECS 200-238-7
Fimeil
Hexadol
Nolvasan
Rotersept
Soretol
Sterilon
Tubulicid
ATC A01AB03
B05CA02
D08AC02
D09AA12
G04BX14
R02AA05
S01AX09
S02AA09
S03AA04
CID 9552079
CAS 000055561
TTD Drug ID DAP001326
SMILES ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
Formula C22H30Cl2N10
Molweight 505.447
Atoms 34
LogP 6.2838
Rotatable Bonds 13
H-Bond Donors 6
H-Bond Acceptors 10
Phase2 interactions
NameReferences
MET 3337739
Nitrofural

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Information Structure
Name Nitrofural
Synonyms
(5-Nitro-2-furfurylidenamino)urea
1-(5-Nitro-2-furfurylidene)semicarbazide
2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide
2-Furaldehyde, 5-nitro-, Semicarbazone
2-Furancarboxaldehyde, 5-nitro-, Semicarbazone
5-17-09-00335 (Beilstein Handbook Reference)
5-Nitro-2-furaldehyde Semicarbazone
5-Nitro-2-furancarboxaldehyde Semicarbazone
5-Nitro-2-furfural Semicarbazone
5-Nitro-2-furfuraldehyde Semicarbazone
5-Nitrofuraldehyde Semicarbazide
5-Nitrofuran-2-aldehyde Semicarbazone
5-Nitrofurazone
5-Nitrofurfural Semicarbazone
6-Nitrofuraldehyde Semicarbazide
Actin-N
Acutol
AI3-17333
Aldomycin
Alfucin
Amifur
Babrocid
Becafurazone
Biofuracina
Biofurea
BRN 0086403
CCRIS 1195
Chemofuran
Chixin
Cocafurin
Coxistat
Dermofural
Dynazone
EINECS 200-443-1
Eldezol
Eldezol F-6
Fedacin
Flavazone
Fracine
Furacilin
Furacilinum
Furacillin
Furacin
Furacin-E
Furacin-HC
Furacine
Furacinetten
Furacoccid
Furacort
Furacycline
Furaderm
Furagent
Furaldon
Furalone
Furametral
Furan-ofteno
Furaplast
Furaseptyl
Furaskin
Furatsilin
Furaziline
Furazin
Furazina
Furazol W
Furazone
Furazyme
Furesol
Furfurin
Furosem
Fuvacillin
Hemofuran
HSDB 3136
Hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-
Ibiofural
Mammex
Mastofuran
Monafuracin
Monafuracis
Monofuracin
NCI-C56064
Nefco
NF-7
NFS
NFZ
Nifucin
Nifurid
Nifuzon
Nitrofural
Nitrofuraldehyde Semicarbazone
Nitrofuralum
Nitrofuran
Nitrofuran (bactericide)
Nitrofurane
Nitrofurazan
Nitrofurazone
Nitrofurazonum
Nitrofurol
Nitrozone
NSC 1602
NSC-2100
Otofural
Otofuran
Rivafurazon
Rivopon-5
Sanfuran
Semikarbazon 5-nitrofurfuralu
Spray-dermis
Spray-foral
U-6421
USAF EA-4
Vabrocid
Vadrocid
Veterinary Nitrofurazone
Yatrocin
ATC B05CA03
D08AF01
D09AA03
P01CC02
S01AX04
S02AA02
CID 1839
CAS 000059870
Drugbank ID DB00336
SMILES NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O
Formula C6H6N4O4
Molweight 198.136
Atoms 15
LogP 1.8044
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 7
CYP interactions
NameRelationsReferences
2D6Substrate 10939229
Sulfamethizole

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Information Structure
Name Sulfamethizole
Synonyms
2-(p-Aminobenzenesulfonamido)-5-methylthiadiazole
2-Methyl-5-sulfanilamido-1,3,4-thiadiazole
2-Sulfanilamido-5-methyl-1,3,4-thiadiazole
4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
5-Methyl-2-sulfanilamido-1,3,4-thiadiazole
AI3-50149
Ayerlucil
Benzenesulfonamide, 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CCRIS 756
EINECS 205-641-1
Famet
HSDB 4379
Lucosil
Methazol
Microsul
N(sup 1)-(5-Methyl-1,3,4-thiadiazol-2-yl)-sulfanilamide
N1-(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanilamide
Renasul
RP 2145
Rufol
Salimol
Solfametizolo
Sulfa Gram
Sulfamethizol
Sulfamethizole
Sulfamethizolum
Sulfamethylthiadiazole
Sulfametizol
Sulfapyelon
Sulfstat
Sulfurine
Sulphamethizole
Tetracid
Thidicur
Thiosulfil
Thiosulfil Forte
Ultrasul
Urocydal
Urodiaton
Urolucosil
Urosulfin
Uroz
VK 53
ATC B05CA04
D06BA04
J01EB02
S01AB01
CID 5328
CAS 000144821
Drugbank ID DB00576
TTD Drug ID DAP001202
SMILES CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1
Formula C9H10N4O2S2
Molweight 270.331
Atoms 17
LogP 2.9645
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 6
CYP interactions
NameRelationsReferences
2C9Inhibitor 10725317
10725317
Taurolidine

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Information Structure
Name Taurolidine
Synonyms
EINECS 243-016-5
Taurolidina
Taurolidine
Taurolidinum
Taurolin
ATC B05CA05
CID 29566
CAS 019388875
SMILES O=S1(=O)CCN(CN1)CN2CCS(=O)(=O)NC2
Formula C7H16N4O4S2
Molweight 284.356
Atoms 17
LogP 0.0239
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 8
Mandelic Acid

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Information Structure
Name Mandelic acid
Synonyms
(+-)-2-Hydroxy-2-phenylethanoic Acid
(+-)-alpha-Hydroxybenzeneacetic Acid
(+-)-alpha-Hydroxyphenylacetic Acid
(+-)-Mandelic Acid
(RS)-Mandelic Acid
2-Hydroy-2-phenylacetic Acid
2-Phenyl-2-hydroxyacetic Acid
2-Phenylglycolic Acid
Acido Mandelico
AI3-06293
Almond Acid
alpha-Hydroxy-alpha-toluic Acid
alpha-Hydroxybenzeneacetic Acid
alpha-Hydroxybenzeneacetic Acid, (+-)-
alpha-Hydroxyphenylacetic Acid
alpha-Toluic Acid, Alpha-hydroxy-
Amygdalic Acid
Benzeneacetic Acid, Alpha-hydroxy-
DL-Hydroxy(phenyl)acetic Acid
dl-Mandelic Acid
EINECS 202-007-6
EINECS 210-277-1
Glycolic Acid, Phenyl-
Kyselina 2-fenyl-2-hydroxyethanova
Kyselina Mandlova
Mandelic Acid
NSC 7925
p-Mandelic Acid
Paramandelic Acid
Phenylglycolic Acid
Phenylhydroxyacetic Acid
Racemic Mandelic Acid
Uromaline
ATC B05CA06
J01XX06
CID 439616
CAS 000090642
SMILES O[C@H](C(O)=O)C1=CC=CC=C1
Formula C8H8O3
Molweight 152.147
Atoms 12
LogP 0.8046
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 3
Noxytiolin

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Information Structure
Name Noxytiolin
Synonyms
1-(Hydroxymethyl)-3-methyl-2-thiourea
BRN 2323080
EINECS 239-679-5
Gynaflex
N-(Hydroxymethyl)-N-methylthiourea
Noxitiolinum
Noxitolina
Noxyflex S
Noxythiolin
Noxythioline
Noxytiolin
Noxytioline
Noxytiolinum
Thiourea, N-(hydroxymethyl)-N-methyl-
ATC B05CA07
CID 27413
CAS 015599390
SMILES CNS#CNCO
Formula C3H8N2OS
Molweight 120.173
Atoms 7
LogP 0.0919
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 3
Ethacridinlactat

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Information Structure
Name Ethacridinlactat
Synonyms
2,5-Diamino-7-ethoxyacridine Lactate
2-Aethoxy-6,9-diaminoacridinlactat
2-Ethoxy-6,9-diaminoacridine Lactate
2-Ethoxy-6,9-diaminoacridinium Lactate
2-Hydroxypropanoic Acid, Compd. With 7-ethoxy-3,9-acridinediamine (1:1)
3,9-Diamino-7-ethoxyacridinium Lactate
6,9-Acridinediamine, 2-ethoxy-, 2-hydroxypropanoate (1:1)
6,9-Diamino-2-ethoxyacridine Lactate
Acridine, 6,9-diamino-2-ethoxy-, Compd. With Lactic Acid (1:1)
Acridine, 6,9-diamino-2-ethoxy-, Lactate
Acridine, 6,9-diamino-2-ethoxy-, Monolactate
Acrinol
Acrinolum
Acrolactine
Akron
Amoebin
Antidiar 200
CCRIS 5165
EINECS 217-408-1
Ethacridine Lactate
Ethacridinlactat
Ethodin
Flavitrol
Hectalin
Metifex
NSC 36333
Rimaon
Rivanol
Rivinol
Vucine
ATC A01AB27
A07AX07
B05CA08
D08AA01
CID 2017
CAS 001837576
SMILES CCOC1=CC=C2N=C3C=C(N)C=CC3=C(N)C2=C1
Formula C15H15N3O
Molweight 253.299
Atoms 19
LogP 4.1135
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
Neomycin

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Information Structure
Name Neomycin
Synonyms
Caswell No. 595
CCRIS 5462
EINECS 215-766-3
EPA Pesticide Chemical Code 006303
Fradiomycin
Fradiomycinum
HSDB 3242
Myacyne
Mycifradin
Neolate
Neomas
Neomcin
Neomicina
Neomin
Neomycin
Neomycine
Neomycinum
Nivemycin
Vonamycin Powder V
ATC A01AB08
A07AA01
B05CA09
D06AX04
G01AA14
J01GB05
R02AB01
S01AA03
S02AA07
S03AA01
CID 8378
CAS 001404042
Drugbank ID DB00994
TTD Drug ID DPR000037
SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O
Formula C23H46N6O13
Molweight 614.644
Atoms 42
LogP -4.6935
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 19
Transporter
AC-No.NameReferences
P14672GLUT-4 11500317
Extrarenal fraction 0.05
Elimination half-life 2h