Cloxacillin sodiumProduct ingredient for Cloxacillin
- Name
- Cloxacillin sodium
- Drug Entry
- Cloxacillin
A semi-synthetic penicillin antibiotic which is a chlorinated derivative of oxacillin.
- Accession Number
- DBSALT000249
- Structure
Structure for Cloxacillin sodium (DBSALT000249)
- Synonyms
- Cloxacillin sodium anhydrous
- UNII
- MWQ645MKMF
- CAS Number
- 642-78-4
- Weight
- Average: 457.86
Monoisotopic: 457.0475138 - Chemical Formula
- C19H17ClN3NaO5S
- InChI Key
- SCLZRKVZRBKZCR-SLINCCQESA-M
- InChI
- InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1
- IUPAC Name
- sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- SMILES
- [Na+].[H][C@@]1(NC(=O)C2=C(C)ON=C2C2=C(Cl)C=CC=C2)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O
- External Links
- PubChem Compound
- 23675320
- ChemSpider
- 12038
- ChEBI
- 51357
- ChEMBL
- CHEMBL262636
- Wikipedia
- Cloxacillin
- Predicted Properties
Property Value Source Water Solubility 0.0643 mg/mL ALOGPS logP 2.93 ALOGPS logP 2.3 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.75 Chemaxon pKa (Strongest Basic) -0.41 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 115.57 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 117.47 m3·mol-1 Chemaxon Polarizability 41.26 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon