Metabolite Galantamine N-oxide
- Name
- Galantamine N-oxide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- S6AF61T5WO
- CAS number
- Not Available
- Weight
- Average: 303.358
Monoisotopic: 303.14705816 - Chemical Formula
- C17H21NO4
- InChI Key
- LROQBKNDGTWXET-FVWDGWMTSA-N
- InChI
- InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18?/m0/s1
- IUPAC Name
- (1S,12S,14R)-14-hydroxy-9-methoxy-4-methyl-11-oxa-4lambda5-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6(17),7,9,15-tetraen-4-one
- SMILES
- [H][C@]12C[C@@H](O)C=C[C@]11CCN(C)(=O)CC3=C1C(O2)=C(OC)C=C3
- Reactions
- Galantamine Galantamine N-oxide
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 169.99126 predictedDeepCCS 1.0 (2019) [M+H]+ 172.38683 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.89496 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.039 Chemaxon pKa (Strongest Acidic) 14.81 Chemaxon pKa (Strongest Basic) 2.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 65.57 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 84.35 m3·mol-1 Chemaxon Polarizability 32.06 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