Cloxacillin benzathineProduct ingredient for Cloxacillin
- Name
- Cloxacillin benzathine
- Drug Entry
- Cloxacillin
A semi-synthetic penicillin antibiotic which is a chlorinated derivative of oxacillin.
- Accession Number
- DBSALT001648
- Structure
Structure for Cloxacillin benzathine (DBSALT001648)
- Synonyms
- Not Available
- UNII
- AC79L7PV2G
- CAS Number
- 23736-58-5
- Weight
- Average: 1112.11
Monoisotopic: 1110.2937878 - Chemical Formula
- C54H56Cl2N8O10S2
- InChI Key
- COCFKSXGORCFOW-VZHMHXRYSA-N
- InChI
- InChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1
- IUPAC Name
- bis((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-carboxylic acid); benzyl[2-(benzylamino)ethyl]amine
- SMILES
- C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=CC=CC=C1Cl.CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=CC=CC=C1Cl
- External Links
- ChemSpider
- 58254
- ChEBI
- 51351
- ChEMBL
- CHEMBL3989531
- Predicted Properties
Property Value Source Water Solubility 0.0532 mg/mL ALOGPS logP 2.61 ALOGPS logP 2.3 Chemaxon logS -3.9 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 2 Chemaxon Polar Surface Area 112.74 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 106.64 m3·mol-1 Chemaxon Polarizability 40.55 Å3 Chemaxon Number of Rings 10 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon