Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bentiamine [INN]
RN: 299-88-7
UNII: 8PUY50JWLU
InChIKey: AZJUFRDUYTYIHV-NKFKGCMQSA-N

Molecular Formula

  • C26-H26-N4-O4-S

Molecular Weight

  • 490.5814
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bentiamine
  • Bentiamine [INN]

Synonyms

  • Bentiamina
  • Bentiamina [INN-Spanish]
  • Bentiamine
  • Bentiaminum
  • Bentiaminum [INN-Latin]
  • CCRIS 1339
  • DBT
  • Dibenzoyl thiamine
  • Dibenzoylthiamine
  • EINECS 206-084-7
  • N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O,S-dibenzoate
  • O,S-Bis(benzoyl)thiamine disulfide
  • O,S-Dibenzoylthiamine
  • Thiamine, O,S-dibenzoyl-, (6CI)
  • UNII-8PUY50JWLU

Systematic Names

  • Bentiamine
  • Benzenecarbothioic acid, S-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl) ester
  • Benzoic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester)
  • Dibenzoyl thiamine
  • N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O,S-dibenzoate

Registry Numbers

CAS Registry Number

  • 299-88-7

FDA UNII

  • 8PUY50JWLU

Other Registry Number

  • 103032-39-9

System Generated Number

  • 0000299887

Structure Descriptors

InChI

1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-

InChIKey

AZJUFRDUYTYIHV-NKFKGCMQSA-N

Smiles

Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOC(=O)c2ccccc2)\SC(=O)c3ccccc3)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2120mg/kg (2120mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 62, Pg. 123, 1966.
mouse LD50 oral 7480mg/kg (7480mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 62, Pg. 123, 1966.