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
Basic information
- CAS
7060-81-3- Standard SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O- InChIKey
LQOLIRLGBULYKD-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O5S
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.0655696
Names & identifiers
- Preferred name
- 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
- IUPAC
- 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
- English name
- cloxacillin sodium
- Molecular weight
- 0
Names & synonyms
Oprea1_495871MLS006011803CHEMBL1623166SCHEMBL11404593SCHEMBL31229061Oxacillin sodium EP Impurity EDTXSID908590497060-81-3SMR004703487DB-053980Cloxacillin, Antibiotic for Culture Media Use Only6-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Show more names
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-
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
Database identifiers
- CAS
7060-81-3- PubChem CID
- 2814
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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