Cefpirome sulfateProduct ingredient for Cefpirome

Name
Cefpirome sulfate
Drug Entry
Cefpirome
Accession Number
DBSALT002707
Structure
Synonyms
Cefpirome sulphate
UNII
BA5ALU2ZT9
CAS Number
98753-19-6
Weight
Average: 612.65
Monoisotopic: 612.076689899
Chemical Formula
C22H24N6O9S3
InChI Key
RKTNPKZEPLCLSF-QHBKFCFHSA-N
InChI
InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1
IUPAC Name
1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium; sulfuric acid
SMILES
OS(O)(=O)=O.[H][C@]12SCC(C[N+]3=C4CCCC4=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C([O-])=O
KEGG Drug
D01401
ChemSpider
8136158
ChEBI
31378
ChEMBL
CHEMBL2106076
Predicted Properties
PropertyValueSource
Water Solubility0.00721 mg/mLALOGPS
logP-1ALOGPS
logP-4Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)2.67Chemaxon
pKa (Strongest Basic)3.54Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area153.92 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity141.3 m3·mol-1Chemaxon
Polarizability50.27 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon