Metabolite norcodeine
- Name
- norcodeine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 32W9P3T4ML
- CAS number
- Not Available
- Weight
- Average: 285.3377
Monoisotopic: 285.136493479 - Chemical Formula
- C17H19NO3
- InChI Key
- HKOIXWVRNLGFOR-KUYPYUECSA-N
- InChI
- InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12+,16+,17+/m1/s1
- IUPAC Name
- (1S,5R,13R,14S)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol
- SMILES
- COC1=CC=C2C[C@H]3NCC[C@@]45[C@@H](OC1=C24)[C@@H](O)C=CC35
- Reactions
- Codeine norcodeine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 171.3149 predictedDeepCCS 1.0 (2019) [M+H]+ 173.71046 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.14221 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 23214008
- Wikipedia
- Norcodeine
- Predicted Properties
Property Value Source Water Solubility 0.379 mg/mL ALOGPS logP 0.99 ALOGPS logP 0.96 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 13.78 Chemaxon pKa (Strongest Basic) 10.07 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 50.72 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 79.31 m3·mol-1 Chemaxon Polarizability 29.86 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon