Cefalotin sodiumProduct ingredient for Cefalotin

Name
Cefalotin sodium
Drug Entry
Cefalotin

Cefalotin is a cephalosporin antibiotic.

Accession Number
DBSALT000262
Structure
Synonyms
Cefalotina sodica / Cephalothin sodium
External IDs
Lilly 38253
UNII
C22G6EYP8B
CAS Number
58-71-9
Weight
Average: 418.41
Monoisotopic: 418.02692284
Chemical Formula
C16H15N2NaO6S2
InChI Key
VUFGUVLLDPOSBC-XRZFDKQNSA-M
InChI
InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1
IUPAC Name
sodium (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES
[Na+].[H][C@@]1(NC(=O)CC2=CC=CS2)C(=O)N2C(C([O-])=O)=C(COC(C)=O)CS[C@]12[H]
KEGG Drug
D00907
KEGG Compound
C08100
PubChem Compound
23675321
ChemSpider
5801
ChEBI
3542
ChEMBL
CHEMBL1632
Predicted Properties
PropertyValueSource
Water Solubility0.116 mg/mLALOGPS
logP1.04ALOGPS
logP0.016Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.43Chemaxon
pKa (Strongest Basic)-3.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area115.84 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity104.63 m3·mol-1Chemaxon
Polarizability37.98 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon