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
- External Links
- KEGG Drug
- D01401
- ChemSpider
- 8136158
- ChEBI
- 31378
- ChEMBL
- CHEMBL2106076
- Predicted Properties
Property Value Source Water Solubility 0.00721 mg/mL ALOGPS logP -1 ALOGPS logP -4 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 2.67 Chemaxon pKa (Strongest Basic) 3.54 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 153.92 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 141.3 m3·mol-1 Chemaxon Polarizability 50.27 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon