Metabolite Galantamine N-oxide

Name
Galantamine N-oxide
Description
Not Available
Structure
3D
Similar Structures
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
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-169.99126
predicted
DeepCCS 1.0 (2019)
[M+H]+172.38683
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.89496
predicted
DeepCCS 1.0 (2019)
Not Available
Predicted Properties
PropertyValueSource
logP0.039Chemaxon
pKa (Strongest Acidic)14.81Chemaxon
pKa (Strongest Basic)2.62Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area65.57 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity84.35 m3·mol-1Chemaxon
Polarizability32.06 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon