Loracarbef monohydrateProduct ingredient for Loracarbef
- Name
- Loracarbef monohydrate
- Drug Entry
- Loracarbef
Loracarbef is a carbacephem antibiotic sometimes grouped together with the second-generation cephalosporin antibiotics. It is marketed under the trade name Lorabid.
- Accession Number
- DBSALT001796
- Structure
Structure for Loracarbef monohydrate (DBSALT001796)
- Synonyms
- Loracarbef / Loracarbef hydrate
- UNII
- 3X11EVM5SU
- CAS Number
- 121961-22-6
- Weight
- Average: 367.79
Monoisotopic: 367.0934984 - Chemical Formula
- C16H18ClN3O5
- InChI Key
- GPYKKBAAPVOCIW-HSASPSRMSA-N
- InChI
- InChI=1S/C16H16ClN3O4.H2O/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8;/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24);1H2/t10-,11-,12+;/m1./s1
- IUPAC Name
- (6R,7S)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate
- SMILES
- O.[H]N([H])[C@@H](C(=O)N([H])[C@@H]1C(=O)N2C(C(O)=O)=C(Cl)CC[C@]12[H])C1=CC=CC=C1
- External Links
- ChemSpider
- 4447634
- ChEMBL
- CHEMBL1200610
- Predicted Properties
Property Value Source Water Solubility 0.325 mg/mL ALOGPS logP 0.55 ALOGPS logP -2.4 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 3.13 Chemaxon pKa (Strongest Basic) 7.23 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 86.64 m3·mol-1 Chemaxon Polarizability 32.18 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