Cefamandole nafate sodiumProduct ingredient for Cefamandole nafate

Name
Cefamandole nafate sodium
Drug Entry
Cefamandole nafate
Accession Number
DBSALT002822
Structure
Synonyms
Not Available
UNII
8HDO7941DO
CAS Number
42540-40-9
Weight
Average: 512.49
Monoisotopic: 512.05486892
Chemical Formula
C19H17N6NaO6S2
InChI Key
ICZOIXFFVKYXOM-YCLOEFEOSA-M
InChI
InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1
IUPAC Name
sodium (6R,7R)-7-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES
[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](OC=O)C1=CC=CC=C1)C([O-])=O
KEGG Compound
C08102
ChemSpider
4447584
ChEBI
3481
ChEMBL
CHEMBL1618
Predicted Properties
PropertyValueSource
Water Solubility0.581 mg/mLALOGPS
logP0.89ALOGPS
logP0.42Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)3.1Chemaxon
pKa (Strongest Basic)-1.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area159.44 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity142.14 m3·mol-1Chemaxon
Polarizability44.82 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon