Metabolite (+)-3-Methoxymorphinan
- Name
- (+)-3-Methoxymorphinan
- Description
- Not Available
- Structure
Structure for (+)-3-Methoxymorphinan
- Synonyms
- Not Available
- UNII
- SH6R750LWZ
- CAS number
- 1531-23-3
- Weight
- Average: 257.3706
Monoisotopic: 257.177964363 - Chemical Formula
- C17H23NO
- InChI Key
- ILNSWVUXAPSPEH-PVAVHDDUSA-N
- InChI
- InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
- IUPAC Name
- (1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-triene
- SMILES
- [H][C@]12CCCC[C@]11CCN[C@H]2CC2=CC=C(OC)C=C12
- Reactions
- External Links
- Human Metabolome Database
- HMDB0014045
- ChemSpider
- 24693630
- BindingDB
- 50497682
- ChEMBL
- CHEMBL1638
- ZINC
- ZINC000001611775
- Wikipedia
- 3-Methoxymorphinan
- Predicted Properties
Property Value Source Water Solubility 0.00272 mg/mL ALOGPS logP 3.8 ALOGPS logP 3.11 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 10.22 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 77.27 m3·mol-1 Chemaxon Polarizability 29.67 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