Chemical Compound

octotiamine

CAS Registry Number 137-86-0
octotiamine chemical structure
Primary Record

octotiamine

In stock
2,343 g
Purity
98.3 %
CAS
137-86-0

Compound Identifiers & Properties

CAS
137-86-0
PubChem CID
3034020
SMILES
CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCCC(CCCCC(=O)OC)SC(=O)C)/C
Canonical SMILES
COC(=O)CCCCC(CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O

Names & Synonyms

  • octotiamine
  • Neuvitan
  • Gerostop
  • Octotiamin
  • Octotiamina
  • Octotiaminum
  • Gerstop
  • TATD
  • Octotiamine [INN:JAN]
  • AC1MHWRJ
  • Octotiaminum [INN-Latin]
  • starbld0009633
  • Octotiamina [INN-Spanish]
  • CHEMBL285358
  • UNII-UN1Q7096GA
  • DTXSID3057640
  • SCHEMBL182116
  • C23H36N4O5S3
  • 137-86-0
  • DTXCID0031429
  • SCHEMBL27465098
  • VJTXQHYNRDGLON-LTGZKZEYSA-N
  • BRN 0772547
  • Tox21_113988
  • BDBM50024513
  • AKOS015903795
  • AN-5679
  • C23-H36-N4-O5-S3
  • CID3034020
  • J2.531C
  • NCGC00319022-01
  • CAS-137-86-0
  • DA-66303
  • LS-97944
  • HY-105541
  • CS-0026219
  • V2213
  • C90398
  • Thiamin-(3-acetylthio-7-methoxycarbonylheptyl)disulfid
  • 5-25-12-00164 (Beilstein Handbook Reference)
  • methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate
  • 4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
  • I14-17466
  • Q19598167
  • TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide
  • Methyl (8Z)-6-acetylthio-12-(N-(4-amino-2-methyl-5-pyrimidinylmethyl)formamido)-11-(2-hydroxyethyl)-9,10-dithia-11-tridecenoat
  • 6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl
  • 6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester
  • 6-Acetylsulfanyl-8-[2-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-1-(2-hydroxy-ethyl)-propenyldisulfanyl]-octanoic acid methyl ester(ATD)
  • 6-Acetylthio-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester
  • 8-((2-(N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyethyl)propenyl)dithio)-6-mercaptooctanoic acid, methyl ester acetate
  • methyl 6-(acetylsulfanyl)-8-[(2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-5-hydroxypent-2-en-3-yl)disulfanyl]octanoate
  • METHYL 6-(ACETYLSULFANYL)-8-{[(2E)-2-{N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]FORMAMIDO}-5-HYDROXYPENT-2-EN-3-YL]DISULFANYL}OCTANOATE
  • methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl]octanoate
  • Octanoic acid, 6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propenyl)dithio)-, methyl ester