Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:octotiamine
PubChem ID:3034020
Pathway:-
InChI:InChI=1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)/b21-16+
SMILES:OCC/C(=C(\N(Cc1cnc(nc1N)C)C=O)/C)/SSCCC(SC(=O)C)CCCCC(=O)OC

Properties:
Formula:C23H36N4O5S3Atoms:35
Molecular Weight:544.751Rotatable Bonds:19
H-bond Acceptors:12H-bond Donors:2
logP:5.3098
Targets:
NameUniprot IDSourceReferencesInteraction
Cytochrome P450 19A1CP19A_RATBindingDB-shows
Synonyms:
()-oxazepam hemisuccinate sodium salt
137-86-0
5-25-12-00164 (Beilstein Handbook Reference)
8-((2-(N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyet
8-((2-(N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyethyl)propenyl)dithio)-6-mercaptooctanoic acid, methyl ester acetate
BRN 0772547
D01184
Gerostop
Gerstop
LS-97944
Methyl (8Z)-6-acetylthio-12-(N-(4-amino-2-methyl-5-pyrimidinylmethyl)formamido)-11-(2-hydroxyethyl)-9,10-dithia-11-tridecenoat
Neuvita
Neuvita (TN)
Neuvitan
Octanoic acid, 6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propenyl)dithio)-, methyl ester
Octotiamina [INN-Spanish]
Octotiamine
Octotiamine (JAN/INN)
Octotiamine [INN:JAN]
Octotiaminum [INN-Latin]
Puroffit
Puroffit (TN)
TATD
Thiamin-(3-acetylthio-7-methoxycarbonylheptyl)disulfid