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ACTIVE PHARMA INGREDIENTS

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16 Drugs in Development

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Synopsis

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Canada

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16DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

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Chemistry

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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

Galantamine Benzoate

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 Formula	C₂₄H₂₅NO₄
Molecular Weight	391.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	391.17835828 g/mol
Monoisotopic Mass	391.17835828 g/mol
Topological Polar Surface Area	48 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1