GHS
GHS Classification Search
Dibenzoyl Thiamine
O,S-Dibenzoyl-thiamin, Dibenzoylthiamine, Bentiaminum [INN-Latin], O,S-Bis(benzoyl)thiamine disulfide, Bentiamine [INN], Dibenzoylthiamin, Dibenzoyl ThiaMine, Bentiamina [INN-Spanish], N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzoyloxy-2-benzoylsulfanyl-1-methyl-but-1-enyl)-formamide, O,S-Dibenzoylthiamine, Bentiamine
CAS Number: 299-88-7
IUPAC name: [(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-benzoylsulfanylpent-3-enyl] benzoate
Molecular formula: C26H26N4O4S
Molecular weight: 490.57400
InChI: 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: -
EINECS: CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOC(=O)C2=CC=CC=C2)\SC(=O)C3=CC=CC=C3)/C
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