Flomoxef
(6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C15H18F2N6O7S2 |
|---|---|
| Molecular Weight | 496.5 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 220.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.06464 |
| Heavy Atoms | 32 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 99665-00-6 |
|---|---|
| SMILES | COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F |
| InChIKey | UHRBTBZOWWGKMK-DOMZBBRYSA-N |
📖 Product Overview
Flomoxef (CAS: 99665-00-6) is a chemical compound with molecular formula C15H18F2N6O7S2 and molecular weight 496.5 g/mol. Its IUPAC systematic name is (6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
UHRBTBZOWWGKMK-DOMZBBRYSA-N.
SMILES: COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F.
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