| SpectraBase Compound ID | UmSJMxCNjM |
|---|---|
| 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+ |
| InChIKey | BTNNPSLJPBRMLZ-GHRIWEEISA-N |
| Mol Weight | 466.45 g/mol |
| Molecular Formula | C19H23N4O6PS |
| Exact Mass | 466.107593 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cu0y39A5fG5 |
|---|---|
| Name | Benfotiamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H23N4O6PS |
| 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+ |
| InChIKey | BTNNPSLJPBRMLZ-GHRIWEEISA-N |
| Molecular Weight | 466.449 g/mol |
| SMILES | OP(OCC\C(=C\(N(Cc1c(nc(nc1)C)N)C=O)C)SC(=O)c1ccccc1)(=O)O |
| SPLASH | splash10-0pk9-7900000000-6671a1bc37ff3d7963ab |
| Source of Spectrum | CJ-0-8-3409 |
| Synonyms | benzenecarbothioic acid S-[(E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] ester S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate S-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate S-[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-phosphonooxy-pent-2-en-3-yl] benzenecarbothioate |
| Wiley ID | 1391853 |