Fomidacillin
(2S,5R,6R)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C24H28N6O10S |
|---|---|
| Molecular Weight | 592.6 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 251.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 592.15875 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 98048-07-8 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)O)O)C(=O)NC3(C4N(C3=O)C(C(S4)(C)C)C(=O)O)NC=O |
| InChIKey | BLHZPPIRNRDRSC-HSDAMQNGSA-N |
📖 Product Overview
Fomidacillin (CAS: 98048-07-8) is a chemical compound with molecular formula C24H28N6O10S and molecular weight 592.6 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
BLHZPPIRNRDRSC-HSDAMQNGSA-N.
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)O)O)C(=O)NC3(C4N(C3=O)C(C(S4)(C)C)C(=O)O)NC=O.
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