Metabolite morphine
- Name
- morphine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 285.3377
Monoisotopic: 285.136493479 - Chemical Formula
- C17H19NO3
- InChI Key
- BQJCRHHNABKAKU-PKBQDISRSA-N
- InChI
- InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16?,17-/m0/s1
- IUPAC Name
- (1S,14S)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol
- SMILES
- CN1CC[C@]23C4OC5=C(O)C=CC(CC1C2C=C[C@@H]4O)=C35
- Reactions
- Diamorphine morphine
- Diamorphine 6-Monoacetylmorphine
- 6-Monoacetylmorphine morphine
- Opium 6-Monoacetylmorphine
- 6-Monoacetylmorphine morphine
- morphine Morphine glucuronide and morphine-3-glucuronide
- Morphine glucuronide morphine-3,6-diglucuronide
- morphine-3-glucuronide morphine-3,6-diglucuronide
- morphine Morphine glucuronide and morphine-3-glucuronide
- 6-Monoacetylmorphine morphine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 167.13124 predictedDeepCCS 1.0 (2019) [M+H]+ 169.48924 predictedDeepCCS 1.0 (2019) [M+Na]+ 177.46867 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 24775789
- ChEMBL
- CHEMBL3914733
- Wikipedia
- Morphine
- Predicted Properties
Property Value Source Water Solubility 10.2 mg/mL ALOGPS logP 0.99 ALOGPS logP 0.9 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 10.26 Chemaxon pKa (Strongest Basic) 9.12 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.93 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 80.12 m3·mol-1 Chemaxon Polarizability 29.95 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