Benfotiamine
S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
Also Known As: benfotiamine|Benphothiamine|Biotamin|benfothiamine|Betivina|Benfotiamina|Benfotiaminum|Bietamine|Neurostop|Nitanevril|Vitanevril|Tabiomyl|Berdi|milgamma|Benzoylthiamine monophosphate|Z-Benfotiamine|BTMP-benfo|Benfotamine|BTMP|Foti|S-Benzoylthiamine O-monophosphate|S-Benzoylthiamine monophosphate|Prestwick_68|Biotamin (TN)|Benzoylthiamine O-monophosphate|Benfotiaminum [INN-Latin]|Benfotiamina [INN-Spanish]|Prestwick2_000654|Prestwick3_000654|Benfotiamine (JAN/INN)|Thiamine monophosphate benzoyl|Benfotiamine [INN:DCF:JAN]|BENZOYLTHIAMINMONOPHOSPHAT|BSPBio_000687|Benfotiamine [DCF:INN:JAN]|BPBio1_000757|22457-89-2 (free acid)
| Molecular Formula | C19H23N4O6PS |
|---|---|
| Molecular Weight | 466.1076 g/mol |
| LogP | 2.63012 |
| Topological Polar Surface Area | 155.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 466.1076 |
| Monoisotopic Mass | 466.1076 |
| Heavy Atoms | 31 |
| Complexity | 1011.7125 |
Chemical Identifiers
| CAS Number | 137-74-6 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOP(=O)(O)O)\SC(=O)C2=CC=CC=C2)/C |
Product Overview
Benfotiamine (CAS 137-74-6), with molecular formula C19H23N4O6PS and molecular weight 466.1076 g/mol. IUPAC: S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate.
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