Metabolite Galantaminone
- Name
- Galantaminone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- ATP706417H
- CAS number
- Not Available
- Weight
- Average: 285.343
Monoisotopic: 285.136493476 - Chemical Formula
- C17H19NO3
- InChI Key
- QENVUHCAYXAROT-YOEHRIQHSA-N
- InChI
- InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1
- IUPAC Name
- (1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6(17),7,9,15-tetraen-14-one
- SMILES
- [H][C@]12CC(=O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3
- Reactions
- Galantamine Galantaminone
- Galantaminone O-desmethyl-galantaminone
- Galantaminone Epigalantamine
- Epigalantamine N-desmethyl-epigalantamine
- Epigalantamine Sulfate conjugate of epigalantamine
- Epigalantamine Epigalantamine N-oxide
- Epigalantamine O-desmethyl-epigalantamine
- O-desmethyl-epigalantamine O-desmethyl-epigalantamine glucuronide
- Galantamine Galantaminone
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 176.3148406 predictedDarkChem Lite v0.1.0 [M-H]- 176.2710406 predictedDarkChem Lite v0.1.0 [M-H]- 166.92747 predictedDeepCCS 1.0 (2019) [M+H]+ 176.7458406 predictedDarkChem Lite v0.1.0 [M+H]+ 176.7232406 predictedDarkChem Lite v0.1.0 [M+H]+ 169.28548 predictedDeepCCS 1.0 (2019) [M+Na]+ 176.5598406 predictedDarkChem Lite v0.1.0 [M+Na]+ 176.4072406 predictedDarkChem Lite v0.1.0 [M+Na]+ 176.20515 predictedDeepCCS 1.0 (2019) - External Links
- KEGG Compound
- C08534
- ChemSpider
- 8532040
- ChEBI
- 7487
- ChEMBL
- CHEMBL2146604
- ZINC
- ZINC000015250922
- Predicted Properties
Property Value Source Water Solubility 1.44 mg/mL ALOGPS logP 2.1 ALOGPS logP 1.8 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 19.18 Chemaxon pKa (Strongest Basic) 8.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 81.3 m3·mol-1 Chemaxon Polarizability 30.78 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