Cefminox sodium hydrateProduct ingredient for Cefminox

Name
Cefminox sodium hydrate
Drug Entry
Cefminox

Cefminox (INN) is a second generation cephalosporin antibiotic. It is approved for use in Japan.

Accession Number
DBSALT001119
Structure
Synonyms
Cefminox sodium heptahydrate
UNII
KZ89N378LQ
CAS Number
1351813-81-4
Weight
Average: 667.65
Monoisotopic: 667.1223566
Chemical Formula
C16H34N7NaO14S3
InChI Key
QCIJKKRQPRMHOX-IJARWDBPSA-M
InChI
InChI=1S/C16H21N7O7S3.Na.7H2O/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26;;;;;;;;/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28);;7*1H2/q;+1;;;;;;;/p-1/t8?,14-,16+;;;;;;;;/m1......../s1
IUPAC Name
sodium (6R,7S)-7-{2-[(2-amino-2-carboxyethyl)sulfanyl]acetamido}-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-ene-2-carboxylate heptahydrate
SMILES
O.O.O.O.O.O.O.[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC(N)C(O)=O)OC)C([O-])=O
KEGG Drug
D01909
ChemSpider
30791032
ChEBI
31371
Predicted Properties
PropertyValueSource
Water Solubility2.13 mg/mLALOGPS
logP-0.84ALOGPS
logP-3.6Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)1.55Chemaxon
pKa (Strongest Basic)8.82Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area205.69 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity144.18 m3·mol-1Chemaxon
Polarizability49.53 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon