Metabolite 3-hydroxy-7-acetamido-clonazepam
- Name
- 3-hydroxy-7-acetamido-clonazepam
- Description
- Not Available
- Structure
Structure for 3-hydroxy-7-acetamido-clonazepam
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 343.77
Monoisotopic: 343.072369 - Chemical Formula
- C17H14ClN3O3
- InChI Key
- KUESARGBMSNTGT-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H14ClN3O3/c1-9(22)19-10-6-7-14-12(8-10)15(21-17(24)16(23)20-14)11-4-2-3-5-13(11)18/h2-8,17,24H,1H3,(H,19,22)(H,20,23)
- IUPAC Name
- N-[5-(2-chlorophenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]acetamide
- SMILES
- CC(=O)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
- 2300512
- Predicted Properties
Property Value Source Water Solubility 0.0541 mg/mL ALOGPS logP 1.88 ALOGPS logP 2.16 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 10.62 Chemaxon pKa (Strongest Basic) -1.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.79 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 92.76 m3·mol-1 Chemaxon Polarizability 33.95 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