Cefaloglycin dihydrateProduct ingredient for Cephaloglycin
- Name
- Cefaloglycin dihydrate
- Drug Entry
- Cephaloglycin
A cephalorsporin antibiotic that is no longer commonly used.
- Accession Number
- DBSALT001839
- Structure
Structure for Cefaloglycin dihydrate (DBSALT001839)
- Synonyms
- Cefaloglycin / Cephaloglycin / Cephaloglycin dihydrate
- UNII
- NE7R11LA95
- CAS Number
- 22202-75-1
- Weight
- Average: 441.46
Monoisotopic: 441.120585887 - Chemical Formula
- C18H23N3O8S
- InChI Key
- KURFSUDYQUKEJZ-SBMYYUOMSA-N
- InChI
- InChI=1S/C18H19N3O6S.2H2O/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10;;/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26);2*1H2/t12-,13-,17-;;/m1../s1
- IUPAC Name
- (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2R)-2-amino-1-hydroxy-2-phenylethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
- SMILES
- O.O.[H][C@](N)(C(O)=N[C@]1([H])C(=O)N2C(C(O)=O)=C(COC(C)=O)CS[C@]12[H])C1=CC=CC=C1
- External Links
- ChemSpider
- 145782
- Predicted Properties
Property Value Source Water Solubility 0.136 mg/mL ALOGPS logP 0.05 ALOGPS logP -2.4 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.7 Chemaxon pKa (Strongest Basic) 8.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 142.52 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 100.42 m3·mol-1 Chemaxon Polarizability 39.34 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 Yes Chemaxon