Metabolite O-desmethyl-galantaminone
- Name
- O-desmethyl-galantaminone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 271.316
Monoisotopic: 271.120843411 - Chemical Formula
- C16H17NO3
- InChI Key
- SFXRCSXBOPHUNV-BBRMVZONSA-N
- InChI
- InChI=1S/C16H17NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,13,19H,6-9H2,1H3/t13-,16-/m0/s1
- IUPAC Name
- (1S,12S)-9-hydroxy-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(O)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]- 164.10515 predictedDeepCCS 1.0 (2019) [M+H]+ 166.46315 predictedDeepCCS 1.0 (2019) [M+Na]+ 173.33676 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.42 mg/mL ALOGPS logP 1.35 ALOGPS logP 1.45 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 9.85 Chemaxon pKa (Strongest Basic) 8.44 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.77 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 76.81 m3·mol-1 Chemaxon Polarizability 28.79 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon