Metabolite Sulfate conjugate of O-desmethyl-galantamine
- Name
- Sulfate conjugate of O-desmethyl-galantamine
- Description
- Not Available
- Structure
Structure for Sulfate conjugate of O-desmethyl-galantamine
- Synonyms
- Not Available
- UNII
- 6UF6U93C58
- CAS number
- Not Available
- Weight
- Average: 353.39
Monoisotopic: 353.09330851 - Chemical Formula
- C16H19NO6S
- InChI Key
- AVISFYJLJIUZGB-RBOXIYTFSA-N
- InChI
- InChI=1S/C16H19NO6S/c1-17-7-6-16-5-4-11(18)8-13(16)22-15-12(23-24(19,20)21)3-2-10(9-17)14(15)16/h2-5,11,13,18H,6-9H2,1H3,(H,19,20,21)/t11-,13-,16-/m0/s1
- IUPAC Name
- [(1S,12S,14R)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6(17),7,9,15-tetraen-9-yl]oxidanesulfonic acid
- SMILES
- [H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OS(O)(=O)=O)C=C3
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 180.9966 predictedDeepCCS 1.0 (2019) [M+H]+ 183.39217 predictedDeepCCS 1.0 (2019) [M+Na]+ 189.36119 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source logP -0.94 Chemaxon pKa (Strongest Acidic) -1.9 Chemaxon pKa (Strongest Basic) 8.48 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.3 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 87.81 m3·mol-1 Chemaxon Polarizability 35.09 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon