Benfotiamine

CAS: 22457-89-2

Ref. 3B-B4711

Product Information

• Name: Benfotiamine
• Synonyms: S-Benzoylthiamine O-Monophosphate, 8088Cb, Benfothiamine, Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester, Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)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 dihydrogen phosphate (ester), Benzoylthiamine O-monophosphate, Benzoylthiamine monophosphate, Berdi, Betivina, Bietamine, Biotamin, Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, S-benzoate O-(dihydrogen phosphate), Milgamma, N-((4-Amino-2-Methyl-5-Pyrimidinyl)Methyl)-N-(4-Hydroxy-2-Mercapto-1-Methyl-1-Butenyl)Formamide-S-Benzoate Dihydrogen Phosphate, N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate, Neurostop, Nitanevril, S-Benzoylthiamine monophosphate, S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate, S-{(1E)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-[2-(phosphonooxy)ethyl]prop-1-en-1-yl} benzenecarbothioate, S-{(1Z)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-[2-(phosphonooxy)ethyl]prop-1-en-1-yl} benzenecarbothioate, Tabiomyl, Vitanevril
• Brand: TCI

Chemical properties

• Molecular weight: 466.45
• Formula: C₁₉H₂₃N₄O₆PS
• Purity: >98.0%(T)(HPLC)
• Color/Form: White to Almost white powder to crystal
• InChI: InChI=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 key: InChIKey=BTNNPSLJPBRMLZ-GHRIWEEISA-N
• SMILES: C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N