Cefacetrile sodiumProduct ingredient for Cefacetrile
- Name
- Cefacetrile sodium
- Drug Entry
- Cefacetrile
A derivative of 7-aminocephalosporanic acid.
- Accession Number
- DBSALT002849
- Structure
- Synonyms
- Sodium cefacetrile
- External IDs
- BA 36278A / BA-36278A
- UNII
- 87TH1FJY1N
- CAS Number
- 23239-41-0
- Weight
- Average: 361.3
Monoisotopic: 361.03445057 - Chemical Formula
- C13H12N3NaO6S
- InChI Key
- GXCRUTWHNMMJEK-WYUVZMMLSA-M
- InChI
- InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1
- IUPAC Name
- sodium (6R,7R)-3-[(acetyloxy)methyl]-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- SMILES
- [Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C([O-])=O
- External Links
- KEGG Compound
- C12691
- ChemSpider
- 391988
- ChEBI
- 31364
- ChEMBL
- CHEMBL2104099
- Predicted Properties
Property Value Source Water Solubility 5.28 mg/mL ALOGPS logP 0.23 ALOGPS logP -1.8 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 3.11 Chemaxon pKa (Strongest Basic) -6.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 139.63 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 88.34 m3·mol-1 Chemaxon Polarizability 30.67 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon