Metabolite norhydrocodone
- Name
- norhydrocodone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 18NB5F1JT4
- CAS number
- Not Available
- Weight
- Average: 285.3377
Monoisotopic: 285.136493479 - Chemical Formula
- C17H19NO3
- InChI Key
- JGORUXKMRLIJSV-ZWUPXRALSA-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/h2,5,10-11,16,18H,3-4,6-8H2,1H3/t10-,11+,16-,17-/m1/s1
- IUPAC Name
- (1R,5S,13S,17S)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
- SMILES
- [H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2)=C(OC)C=C3
- Reactions
- Hydrocodone norhydrocodone
- Benzhydrocodone Hydrocodone
- Hydrocodone norhydrocodone
- Hydrocodone Hydromorphone
- Hydromorphone 6-α-hydromorphol and 6-β-hydromorphol
- Hydrocodone 6-α-hydrocodol and 6-β-hydrocodol
- 6-α-hydrocodol 6-α-hydromorphol
- 6-β-hydrocodol 6-β-hydromorphol
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 169.5483406 predictedDarkChem Lite v0.1.0 [M-H]- 177.32103 predictedDeepCCS 1.0 (2019) [M+H]+ 170.2144406 predictedDarkChem Lite v0.1.0 [M+H]+ 179.67902 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.4153406 predictedDarkChem Lite v0.1.0 [M+Na]+ 186.00067 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0061070
- ChemSpider
- 30778621
- ZINC
- ZINC000001658782
- Wikipedia
- Norhydrocodone
- Predicted Properties
Property Value Source Water Solubility 0.287 mg/mL ALOGPS logP 1.45 ALOGPS logP 1.58 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 19.37 Chemaxon pKa (Strongest Basic) 10.13 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 47.56 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 77.45 m3·mol-1 Chemaxon Polarizability 29.89 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