Cefatrizine propylene glycolateProduct ingredient for Cefatrizine
- Name
- Cefatrizine propylene glycolate
- Drug Entry
- Cefatrizine
- Accession Number
- DBSALT002708
- Structure
- Synonyms
- Antibiotic BL-S640 propylene glycolate / Cefatrizine propylene glycol / Cefatrizine propyleneglycolate / Propyleneglycol-cefatrizine
- UNII
- 3731IA5GI9
- CAS Number
- 64217-62-5
- Weight
- Average: 538.59
Monoisotopic: 538.130439549 - Chemical Formula
- C21H26N6O7S2
- InChI Key
- CKOIKOHDEYTLFR-PFBPGKLMSA-N
- InChI
- InChI=1S/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;1-3(5)2-4/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);3-5H,2H2,1H3/t12-,13-,17-;/m1./s1
- IUPAC Name
- (6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-[(1H-1,2,3-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; propane-1,2-diol
- SMILES
- CC(O)CO.[H][C@]12SCC(CSC3=CNN=N3)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
- External Links
- ChemSpider
- 4918614
- ChEBI
- 94838
- ChEMBL
- CHEMBL3115472
- Predicted Properties
Property Value Source Water Solubility 0.149 mg/mL ALOGPS logP -0.28 ALOGPS logP -2.2 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.92 Chemaxon pKa (Strongest Basic) 7.22 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 174.53 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 115.69 m3·mol-1 Chemaxon Polarizability 44.24 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