Galantamine metabolite M2

Base Information

• Chemical Name: Galantamine metabolite M2
• CAS No.: 464189-54-6
• Molecular Formula: C22H27NO9
• Molecular Weight: 449.45
• UNII: XX89R6HA54
• Mol file: 464189-54-6.mol

Synonyms:Galantamine metabolite M2;XX89R6HA54;o-Desmethyl-galantamine glucuronide;UNII-XX89R6HA54;464189-54-6;(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-6-hydroxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-3-yl beta-D-glucopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, (4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-6-hydroxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-3-yl;O-Desmethyl Galanthamine ?-D-Glucuronide;(4AS,6R,8AS)-4A,5,9,10,11,12-HEXAHYDRO-6-HYDROXY-11-METHYL-6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (4AS,6R,8AS)-4A,5,9,10,11,12-HEXAHYDRO-6-HYDROXY-11-METHYL-6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-3-YL

Chemical Property of Galantamine metabolite M2

Chemical Property:

• PSA: 149.15000
• LogP: -0.59830
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 449.16858144
• Heavy Atom Count: 32
• Complexity: 764

Purity/Quality:

97% ^*data from raw suppliers

O-Desmethyl galanthamine b-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC5C(C(C(C(O5)C(=O)O)O)O)O)O
• Isomeric SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O
• Uses: A metabolite of Galanthamine ((G188500).