Cefonicid sodiumProduct ingredient for Cefonicid

Name

Cefonicid sodium

Drug Entry

Cefonicid

A second-generation cephalosporin administered intravenously or intramuscularly. Its bactericidal action results from inhibition of cell wall synthesis. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections.

See full entry for Cefonicid

Accession Number

DBSALT001472

Structure

Similar Structures

Synonyms

Not Available

UNII

F74MFL78A1

CAS Number

61270-78-8

Weight

Average: 586.52
Monoisotopic: 585.99871358

Chemical Formula

C₁₈H₁₆N₆Na₂O₈S₃

InChI Key

NAXFZVGOZUWLEP-RFXDPDBWSA-L

InChI

InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1

IUPAC Name

disodium (6R,7R)-7-{[(2R)-2-hydroxy-1-oxido-2-phenylethylidene]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES

[Na+].[Na+].[H][C@](O)(C([O-])=N[C@]1([H])C(=O)N2C(C([O-])=O)=C(CSC3=NN=NN3CS(O)(=O)=O)CS[C@]12[H])C1=CC=CC=C1

External Links

KEGG Compound: C08105
ChemSpider: 39733
ChEBI: 3492
ChEMBL: CHEMBL1201005
Wikipedia: Cefonicid

Predicted Properties

Property	Value	Source
Water Solubility	1.17 mg/mL	ALOGPS
logP	-0.04	ALOGPS
logP	-1.7	Chemaxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	-1.5	Chemaxon
pKa (Strongest Basic)	-0.64	Chemaxon
Physiological Charge	-2	Chemaxon
Hydrogen Acceptor Count	12	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	214.06 Å²	Chemaxon
Rotatable Bond Count	9	Chemaxon
Refractivity	158.48 m³·mol^-1	Chemaxon
Polarizability	48.69 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Cefonicid sodiumProduct ingredient for Cefonicid

Structure for Cefonicid sodium (DBSALT001472)