Benfotiamine
CAS 22457-89-2
Overview
Benfotiamine, 22457-89-2, S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
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Technical Data
New Cat. No.ANTPRD7841
Old Cat. No.ANT-BNF-001
CAS22457-89-2
Mol. FormulaC19H23N4O6PS
Mol. Weight466.4 g/mol
IUPACS-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
SMILESCC1=NC=C(CN(/C(C)=C(SC(C2=CC=CC=C2)=O)/CCOP(O)(O)=O)C=O)C(N)=N1
InChIInChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
InChI KeyBTNNPSLJPBRMLZ-LGMDPLHJSA-N
Synonyms
Benzenecarbothioic Acid S-[2-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl] formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] EsterbenfotiamineBenphothiamineBiotaminBenzoylthiamine monophosphatebenfothiamineS-Benzoylthiamine monophosphateBenfotiaminaS-Benzoylthiamine O-monophosphateBenzoylthiamine O-monophosphate


