
CAS Number34779-28-7
Synonyms(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-ethanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC16H18N2O7S2
Molecular Weight458.42
Purity≥95 (H-NMR)%
Density1.64g/cm3
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 34779-28-7 |
| Catalog No. | 2A-1194502 |
| Chinese Name | Sulbenicillin |
| Synonyms | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-ethanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Formula | C16H18N2O7S2 |
| Molecular Weight | 458.42 |
| Purity | ≥95 (H-NMR) |
| Density | 1.64g/cm3 |
| Appearance | powder |
| PubChem ID | 13352 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| InChI | 1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2/t9-,10?,11+,14-;;/m1./s1 |
| InChI Key | FWRNIJIOFYDBES-HCIBPFAFSA-L |
| NACRES Code | NA.21 |
| UNSPSC | 51101500 |
| MSDS | msds/196130_1_34779_28_7.pdf |
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