Metabolite 3-Hydroxymorphinan
- Name
- 3-Hydroxymorphinan
- Description
- Not Available
- Structure
Structure for 3-Hydroxymorphinan
- Synonyms
- Not Available
- UNII
- AG3VB17119
- CAS number
- Not Available
- Weight
- Average: 243.344
Monoisotopic: 243.162314299 - Chemical Formula
- C16H21NO
- InChI Key
- IYNWSQDZXMGGGI-KBMXLJTQSA-N
- InChI
- InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m1/s1
- IUPAC Name
- (1S,9S,10S)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol
- SMILES
- [H][C@]12CCCC[C@]11CCN[C@H]2CC2=C1C=C(O)C=C2
- Reactions
- External Links
- ChemSpider
- 28527689
- ChEMBL
- CHEMBL2105152
- ZINC
- ZINC000001482126
- Wikipedia
- 3-Hydroxymorphinan
- Predicted Properties
Property Value Source Water Solubility 0.0668 mg/mL ALOGPS logP 2.66 ALOGPS logP 2.36 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 9.89 Chemaxon pKa (Strongest Basic) 10.6 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 32.26 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 72.79 m3·mol-1 Chemaxon Polarizability 27.57 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon