cloxacillin
(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C19H18ClN3O5S |
|---|---|
| Molecular Weight | 435.9 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 138.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.06558 |
| Heavy Atoms | 29 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 61-72-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
| InChIKey | LQOLIRLGBULYKD-JKIFEVAISA-N |
📖 Product Overview
cloxacillin (CAS: 61-72-3) is a chemical compound with molecular formula C19H18ClN3O5S and molecular weight 435.9 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
LQOLIRLGBULYKD-JKIFEVAISA-N.
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.
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