Metabolite Norketamine
- Name
- Norketamine
- Description
- Not Available
- Structure
- Synonyms
- 2-Amino-2-(o-chlorophenyl)cyclohexanone
- UNII
- XQY6JVF94X
- CAS number
- 35211-10-0
- Weight
- Average: 223.699
Monoisotopic: 223.076391782 - Chemical Formula
- C12H14ClNO
- InChI Key
- BEQZHFIKTBVCAU-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2
- IUPAC Name
- 2-amino-2-(2-chlorophenyl)cyclohexan-1-one
- SMILES
- NC1(CCCCC1=O)C1=C(Cl)C=CC=C1
- Reactions
- Ketamine Norketamine
- Norketamine 4-Hydroxynorketamine
- Norketamine 5-Hydroxynorketamine
- Norketamine 6-Hydroxynorketamine
- Ketamine Norketamine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 146.9799939 predictedDarkChem Lite v0.1.0 [M-H]- 145.77719 predictedDeepCCS 1.0 (2019) [M+H]+ 147.2909939 predictedDarkChem Lite v0.1.0 [M+H]+ 148.15141 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.9654939 predictedDarkChem Lite v0.1.0 [M+Na]+ 156.60176 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060549
- ChemSpider
- 110322
- ChEBI
- 91519
- ChEMBL
- CHEMBL1039
- Wikipedia
- Norketamine
- Predicted Properties
Property Value Source Water Solubility 0.178 mg/mL ALOGPS logP 2.22 ALOGPS logP 2.91 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 19.71 Chemaxon pKa (Strongest Basic) 7.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.09 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 60.78 m3·mol-1 Chemaxon Polarizability 22.75 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon