Cloxacillin sodium hydrateProduct ingredient for Cloxacillin
- Name
- Cloxacillin sodium hydrate
- Drug Entry
- Cloxacillin
A semi-synthetic penicillin antibiotic which is a chlorinated derivative of oxacillin.
- Accession Number
- DBSALT002444
- Structure
Structure for Cloxacillin sodium hydrate (DBSALT002444)
- Synonyms
- Cloxacillin sodium / Cloxacillin sodium salt monohydrate / Sodium cloxacillin monohydrate
- UNII
- 65LCB00B4Y
- CAS Number
- 7081-44-9
- Weight
- Average: 475.88
Monoisotopic: 475.0580785 - Chemical Formula
- C19H19ClN3NaO6S
- InChI Key
- KCUWTKOTPIUBRI-VICXVTCVSA-M
- InChI
- InChI=1S/C19H18ClN3O5S.Na.H2O/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);;1H2/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 hydrate
- SMILES
- O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1)C([O-])=O
- External Links
- KEGG Compound
- C14010
- ChemSpider
- 21949
- ChEBI
- 34978
- ChEMBL
- CHEMBL1200388
- 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 40.19 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