Cefmetazole sodiumProduct ingredient for Cefmetazole

Name
Cefmetazole sodium
Drug Entry
Cefmetazole

A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.

Accession Number
DBSALT000391
Structure
Synonyms
Not Available
UNII
37Y9VR4W7A
CAS Number
56796-39-5
Weight
Average: 493.516
Monoisotopic: 493.027273402
Chemical Formula
C15H16N7NaO5S3
InChI Key
BITQGIOJQWZUPL-UHFFFAOYSA-M
InChI
InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1
IUPAC Name
sodium N-[(6R,7S)-2-carboxy-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-[(cyanomethyl)sulfanyl]ethanimidate
SMILES
[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2(OC)N=C([O-])CSCC#N)C(O)=O
KEGG Compound
C08104
PubChem Compound
23666711
ChemSpider
10608662
ChEBI
3490
Wikipedia
Cefmetazole
Predicted Properties
PropertyValueSource
Water Solubility1.32 mg/mLALOGPS
logP0.26ALOGPS
logP0.17Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.12Chemaxon
pKa (Strongest Basic)-1.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area169.65 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity135.64 m3·mol-1Chemaxon
Polarizability43.7 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon