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
4582
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(CCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O

Names & Synonyms

  • octotiamine
  • AC1L1IHJ
  • SCHEMBL182117
  • orb1744530
  • CTK8A3555
  • CID4582
  • NS00126001
  • 137-86-0
  • methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidi
  • TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide
  • methyl 6-(acetylsulfanyl)-8-[(2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-hydroxypent-2-en-3-yl)disulfanyl]octanoate
  • methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate
  • methyl 6-acetylsulfanyl-8-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate