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Substance Name: Octotiamine hydrochloride
RN: 1181-74-4
UNII: EGG1E98G4Q
InChIKey: NXYSZSRWHYVNSH-PLMZOXRSSA-N

Molecular Formula

  • C23-H36-N4-O5-S3.Cl-H

Molecular Weight

  • 581.2193
 
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Names and Synonyms

Name of Substance

  • Octotiamine hydrochloride

Synonyms

  • Neuvitan hydrochloride
  • Octanoic acid, 6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propen-1-yl)dithio)-, methyl ester, hydrochloride (1:1)
  • Octanoic acid, 8-((2-(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyethyl)propenyl)dithio)-6-mercapto-, methyl ester, S-acetate, hydrochloride
  • Octanoic acid, 8-((2-(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyethyl)propenyl)dithio)-6-mercapto-, methyl ester, S-acetate, monohydrochloride
  • Octotiamine hydrochloride
  • Octotiamine hydrochloride [WHO-DD]
  • Thiamine 8-methyl-6-acetyldihydrothioctate disulfide hydrochloride
  • UNII-EGG1E98G4Q

Registry Numbers

CAS Registry Number

  • 1181-74-4

FDA UNII

  • EGG1E98G4Q

System Generated Number

  • 0001181744

Structure Descriptors

InChI

1S/C23H36N4O5S3.ClH/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);1H/b21-16-;

InChIKey

NXYSZSRWHYVNSH-PLMZOXRSSA-N

Smiles

Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCO)\SSCCC(CCCCC(=O)OC)SC(=O)C)/C.Cl