Metabolite 4-Hydroxynorketamine
- Name
- 4-Hydroxynorketamine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 239.698
Monoisotopic: 239.071306404 - Chemical Formula
- C12H14ClNO2
- InChI Key
- SNESGYGKISOJIN-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(14)7-8(15)5-6-11(12)16/h1-4,8,15H,5-7,14H2
- IUPAC Name
- 2-amino-2-(2-chlorophenyl)-4-hydroxycyclohexan-1-one
- SMILES
- NC1(CC(O)CCC1=O)C1=CC=CC=C1Cl
- Reactions
- Ketamine Norketamine
- Norketamine 4-Hydroxynorketamine
- Norketamine 5-Hydroxynorketamine
- Norketamine 6-Hydroxynorketamine
- Ketamine 4-Hydroxyketamine
- 4-Hydroxyketamine 4-Hydroxynorketamine
- Ketamine Norketamine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 149.35503 predictedDeepCCS 1.0 (2019) [M+H]+ 151.71303 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.06248 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.49 mg/mL ALOGPS logP 0.5 ALOGPS logP 1.46 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 15.16 Chemaxon pKa (Strongest Basic) 6.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 62.41 m3·mol-1 Chemaxon Polarizability 23.96 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