Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: Gln-1062, 224169-27-1, Galantamine benzoate, Xoi2q0zf7g, 6h-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, benzoate (ester), (4as,6r,8as)-, Benzgalantamine
Molecular Formula
C24H25NO4
Molecular Weight
391.5  g/mol
InChI Key
JKVNJTYHRABHIY-WXVUKLJWSA-N
FDA UNII
XOI2Q0ZF7G

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] benzoate
2.1.2 InChI
InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1
2.1.3 InChI Key
JKVNJTYHRABHIY-WXVUKLJWSA-N
2.1.4 Canonical SMILES
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5
2.1.5 Isomeric SMILES
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5
2.2 Other Identifiers
2.2.1 UNII
XOI2Q0ZF7G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Gln-1062

2.3.2 Depositor-Supplied Synonyms

1. Gln-1062

2. 224169-27-1

3. Galantamine Benzoate

4. Xoi2q0zf7g

5. 6h-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, Benzoate (ester), (4as,6r,8as)-

6. Benzgalantamine

7. Unii-xoi2q0zf7g

8. Benzgalantamine [inn]

9. Schembl16885442

10. [(1s,12s,14r)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] Benzoate

11. Gln 1062

12. Cs-6749

13. Hy-101710

2.4 Create Date
2009-10-26
3 Chemical and Physical Properties
Molecular Weight 391.5 g/mol
Molecular Formula C24H25NO4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass391.17835828 g/mol
Monoisotopic Mass391.17835828 g/mol
Topological Polar Surface Area48 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1