Cefoxitin sodiumProduct ingredient for Cefoxitin
- Name
- Cefoxitin sodium
- Drug Entry
- Cefoxitin
Cefoxitin is a semi-synthetic, broad-spectrum cepha antibiotic for intravenous administration. It is derived from cephamycin C, which is produced by Streptomyces lactamdurans.
- Accession Number
- DBSALT001211
- Structure
Structure for Cefoxitin sodium (DBSALT001211)
- Synonyms
- Not Available
- UNII
- Q68050H03T
- CAS Number
- 33564-30-6
- Weight
- Average: 449.43
Monoisotopic: 449.0327365 - Chemical Formula
- C16H16N3NaO7S2
- InChI Key
- GNWUOVJNSFPWDD-XMZRARIVSA-M
- InChI
- InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1
- IUPAC Name
- sodium N-[(6R,7S)-2-carboxy-3-[(C-hydroxycarbonimidoyloxy)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-(thiophen-2-yl)ethanecarboximidate
- SMILES
- [Na+].[H][C@]12SCC(COC(O)=N)=C(N1C(=O)[C@@]2(OC)N=C([O-])CC1=CC=CS1)C(O)=O
- External Links
- KEGG Compound
- C08106
- ChemSpider
- 390131
- ChEBI
- 3501
- ChEMBL
- CHEMBL1200530
- Wikipedia
- Cefoxitin
- Predicted Properties
Property Value Source Water Solubility 0.0504 mg/mL ALOGPS logP 1.12 ALOGPS logP -0.75 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) -3.4 Chemaxon pKa (Strongest Basic) 11 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 155.57 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 121.04 m3·mol-1 Chemaxon Polarizability 40.16 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon