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Substance Name: O,S-Dibenzoylthiamin hydrochloride
RN: 35660-60-7
InChIKey: DDEDPQYNISJXLF-XTMYEIJHSA-N

Molecular Weight

  • 527.042
 
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Names and Synonyms

Synonym

  • CCRIS 7439

Systematic Name

  • O,S-Dibenzoylthiamin hydrochloride

Registry Numbers

CAS Registry Number

  • 35660-60-7

System Generated Number

  • 0035660607

Structure Descriptors

InChI

1S/C26H26N4O4S.ClH/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);1H/b23-18-;

InChIKey

DDEDPQYNISJXLF-XTMYEIJHSA-N

Smiles

c1(ccccc1)C(=O)SC(=C(/C)N(C=O)Cc1c(nc(nc1)C)N)\CCOC(c1ccccc1)=O.Cl