Cefradine monohydrateProduct ingredient for Cefradine
- Name
- Cefradine monohydrate
- Drug Entry
- Cefradine
A semi-synthetic cephalosporin antibiotic.
- Accession Number
- DBSALT002983
- Structure
Structure for Cefradine monohydrate (DBSALT002983)
- Synonyms
- Cephradine monohydrate
- UNII
- FUC0D71IZN
- CAS Number
- 75975-70-1
- Weight
- Average: 367.42
Monoisotopic: 367.120191962 - Chemical Formula
- C16H21N3O5S
- InChI Key
- VHNPSPMQGXQSET-CYJZLJNKSA-N
- InChI
- InChI=1S/C16H19N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
- IUPAC Name
- (6R,7R)-7-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate
- SMILES
- O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O
- External Links
- ChemSpider
- 19990752
- Predicted Properties
Property Value Source Water Solubility 0.778 mg/mL ALOGPS logP 0.7 ALOGPS logP -2.4 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 3.27 Chemaxon pKa (Strongest Basic) 7.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 112.73 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 92 m3·mol-1 Chemaxon Polarizability 33.19 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon