Cefamandole nafate sodiumProduct ingredient forCefamandole nafate

年代how full entry for Cefamandole nafate
Name
Cefamandole nafate sodium
Drug Entry
Cefamandole nafate
Accession Number
DBSALT002822
年代tructure
年代imilar Structures
年代ynonyms
Not Available
UNII
8HDO7941DO
CAS Number
42540-40-9
Weight
Average: 512.49
Monoisotopic: 512.05486892
Chemical Formula
C19H17N6NaO6年代2
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
年代MILES
[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
Property Value 年代ource
Water Solubility 0.581 mg/mL ALOGPS
logP 0.89 ALOGPS
logP 0.42 Chemaxon
logS -3 ALOGPS
pKa (Strongest Acidic) 3.1 Chemaxon
pKa (Strongest Basic) -1.7 Chemaxon
Physiological Charge -1 Chemaxon
Hydrogen Acceptor Count 8 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 159.44 Å2 Chemaxon
Rotatable Bond Count 9 Chemaxon
Refractivity 142.14米3·mol-1 Chemaxon
Polarizability 44.82 Å3 Chemaxon
Number of Rings 4 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule Yes Chemaxon