Metabolite 3-hydroxy-7-amino-clonazepam
- Name
- 3-hydroxy-7-amino-clonazepam
- Description
- Not Available
- Structure
Structure for 3-hydroxy-7-amino-clonazepam
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 301.73
Monoisotopic: 301.0618043 - Chemical Formula
- C15H12ClN3O2
- InChI Key
- ZQSLMHXITYAFBV-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H12ClN3O2/c16-11-4-2-1-3-9(11)13-10-7-8(17)5-6-12(10)18-14(20)15(21)19-13/h1-7,15,21H,17H2,(H,18,20)
- IUPAC Name
- 7-amino-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- SMILES
- NC1=CC2=C(NC(=O)C(O)N=C2C2=CC=CC=C2Cl)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 130855
- Predicted Properties
Property Value Source Water Solubility 0.134 mg/mL ALOGPS logP 1.7 ALOGPS logP 2.09 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 10.67 Chemaxon pKa (Strongest Basic) 3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 87.71 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 82.59 m3·mol-1 Chemaxon Polarizability 29.51 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