Metabolite 4'-hydroxy-N-desmethylclobazam
- Name
- 4'-hydroxy-N-desmethylclobazam
- Description
- Not Available
- Structure
Structure for 4'-hydroxy-N-desmethylclobazam
- Synonyms
- Not Available
- UNII
- 8NQ6RWN3AE
- CAS number
- Not Available
- Weight
- Average: 302.71
Monoisotopic: 302.0458199 - Chemical Formula
- C15H11ClN2O3
- InChI Key
- CVYAYORYXFSRGC-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H11ClN2O3/c16-9-1-6-12-13(7-9)18(15(21)8-14(20)17-12)10-2-4-11(19)5-3-10/h1-7,19H,8H2,(H,17,20)
- IUPAC Name
- 8-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione
- SMILES
- OC1=CC=C(C=C1)N1C2=C(NC(=O)CC1=O)C=CC(Cl)=C2
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 103876723
- Predicted Properties
Property Value Source Water Solubility 0.0857 mg/mL ALOGPS logP 2.5 ALOGPS logP 2.39 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 5.56 Chemaxon pKa (Strongest Basic) -6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.64 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 79.16 m3·mol-1 Chemaxon Polarizability 29.06 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon