Metabolite O-Desmethyltramadol
- Name
- O-Desmethyltramadol
- Description
- Not Available
- Structure
Structure for O-Desmethyltramadol
- Synonyms
- Not Available
- UNII
- 2WA8F50C3F
- CAS number
- Not Available
- Weight
- Average: 249.3486
Monoisotopic: 249.172878985 - Chemical Formula
- C15H23NO2
- InChI Key
- UWJUQVWARXYRCG-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3
- IUPAC Name
- 3-{2-[(dimethylamino)methyl]-1-hydroxycyclohexyl}phenol
- SMILES
- CN(C)CC1CCCCC1(O)C1=CC(O)=CC=C1
- Reactions
- External Links
- Human Metabolome Database
- HMDB0255851
- ChemSpider
- 115703
- ChEMBL
- CHEMBL4650315
- Wikipedia
- Desmetramadol
- Predicted Properties
Property Value Source Water Solubility 3.53 mg/mL ALOGPS logP 2.26 ALOGPS logP 1.72 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 9.62 Chemaxon pKa (Strongest Basic) 8.97 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 43.7 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 73.79 m3·mol-1 Chemaxon Polarizability 28.53 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