Metabolite Oxazepam
- Name
- Oxazepam
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 286.713
Monoisotopic: 286.050905313 - Chemical Formula
- C15H11ClN2O2
- InChI Key
- ADIMAYPTOBDMTL-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
- IUPAC Name
- 7-chloro-3-hydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- SMILES
- OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
- Reactions
- Diazepam Oxazepam
- Temazepam Oxazepam
- Diazepam Nordazepam
- Nordazepam Oxazepam
- Nordazepam Nordiazepam O-glucuronide
- Diazepam Temazepam
- Temazepam Oxazepam
- Clorazepic acid Nordazepam
- Nordazepam Oxazepam
- Nordazepam p-Hydroxynordiazepam
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.9946419 predictedDarkChem Lite v0.1.0 [M-H]- 166.9908419 predictedDarkChem Lite v0.1.0 [M-H]- 167.0011419 predictedDarkChem Lite v0.1.0 [M-H]- 160.16872 predictedDeepCCS 1.0 (2019) [M-H]- 166.9946419 predictedDarkChem Lite v0.1.0 [M-H]- 166.9908419 predictedDarkChem Lite v0.1.0 [M-H]- 167.0011419 predictedDarkChem Lite v0.1.0 [M-H]- 160.16872 predictedDeepCCS 1.0 (2019) [M+H]+ 167.5434419 predictedDarkChem Lite v0.1.0 [M+H]+ 167.5123419 predictedDarkChem Lite v0.1.0 [M+H]+ 167.6384419 predictedDarkChem Lite v0.1.0 [M+H]+ 162.52672 predictedDeepCCS 1.0 (2019) [M+H]+ 167.5434419 predictedDarkChem Lite v0.1.0 [M+H]+ 167.5123419 predictedDarkChem Lite v0.1.0 [M+H]+ 167.6384419 predictedDarkChem Lite v0.1.0 [M+H]+ 162.52672 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.4315419 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.3345419 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.0114419 predictedDarkChem Lite v0.1.0 [M+Na]+ 168.61986 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.4315419 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.3345419 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.0114419 predictedDarkChem Lite v0.1.0 [M+Na]+ 168.61986 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source Water Solubility 0.0881 mg/mL ALOGPS logP 2.01 ALOGPS logP 2.92 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 10.61 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 61.69 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 77.89 m3·mol-1 Chemaxon Polarizability 28.38 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