Metabolite 6-Hydroxyketamine
- Name
- 6-Hydroxyketamine
- Description
- Not Available
- Structure
Structure for 6-Hydroxyketamine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- 81395-75-7
- Weight
- Average: 253.725
Monoisotopic: 253.086956468 - Chemical Formula
- C13H16ClNO2
- InChI Key
- WAXHSFGMMWDOAE-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H16ClNO2/c1-15-13(8-4-7-11(16)12(13)17)9-5-2-3-6-10(9)14/h2-3,5-6,11,15-16H,4,7-8H2,1H3
- IUPAC Name
- 2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)cyclohexan-1-one
- SMILES
- [H]N(C)C1(CCCC(O)C1=O)C1=CC=CC=C1Cl
- Reactions
- External Links
- Human Metabolome Database
- HMDB0060550
- ChemSpider
- 117908
- ChEMBL
- CHEMBL3544560
- Predicted Properties
Property Value Source Water Solubility 1.32 mg/mL ALOGPS logP 1.46 ALOGPS logP 2.48 ChemAxon logS -2.3 ALOGPS pKa (Strongest Acidic) 13.34 ChemAxon pKa (Strongest Basic) 6.74 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 49.33 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 67.05 m3·mol-1 ChemAxon Polarizability 25.79 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