Metabolite Norhydromorphone
- Name
- Norhydromorphone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 271.3111
Monoisotopic: 271.120843415 - Chemical Formula
- C16H17NO3
- InChI Key
- SWIRXSKBBSJXGY-UIHHKEIPSA-N
- InChI
- InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1,3,9-10,15,17-18H,2,4-7H2/t9-,10+,15-,16-/m0/s1
- IUPAC Name
- (1S,5R,13R,17R)-10-hydroxy-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]N1CC[C@@]23C4=C5C[C@]1([H])[C@]2([H])CCC(=O)[C@]3([H])OC4=C(O)C=C5
- Reactions
- Hydromorphone Norhydromorphone
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.0571604 predictedDarkChem Lite v0.1.0 [M-H]- 162.1579604 predictedDarkChem Lite v0.1.0 [M-H]- 170.4503 predictedDeepCCS 1.0 (2019) [M+H]+ 162.7959604 predictedDarkChem Lite v0.1.0 [M+H]+ 162.9171604 predictedDarkChem Lite v0.1.0 [M+H]+ 172.80829 predictedDeepCCS 1.0 (2019) [M+Na]+ 162.2975604 predictedDarkChem Lite v0.1.0 [M+Na]+ 162.2583604 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.1451 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0014004
- ChemSpider
- 8531276
- ChEBI
- 189801
- ZINC
- ZINC000038601228
- Predicted Properties
Property Value Source Water Solubility 0.915 mg/mL ALOGPS logP 1.1 ALOGPS logP 0.81 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 9.75 Chemaxon pKa (Strongest Basic) 10.46 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.56 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 72.97 m3·mol-1 Chemaxon Polarizability 27.82 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