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Chemistry

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Also known as: 543906-09-8, Afq056, Afq-056, (3ar,4s,7ar)-octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1h-indole-1-carboxylic acid methyl ester, Gt0i9sv4f6, Methyl (3ar,4s,7ar)-4-hydroxy-4-(m-tolylethynyl)octahydro-1h-indole-1-carboxylate
Molecular Formula
C19H23NO3
Molecular Weight
313.4  g/mol
InChI Key
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
FDA UNII
GT0I9SV4F6

Mavoglurant
Mavoglurant has been used in trials studying the treatment of Patient Diagnosed With OCD and and Resistant to SSRI Treatment (Failed SSRI Over 12 Weeks at Appropriate Doses).
1 2D Structure

Mavoglurant

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
2.1.2 InChI
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
2.1.3 InChI Key
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
2.1.4 Canonical SMILES
CC1=CC(=CC=C1)C#CC2(CCCC3C2CCN3C(=O)OC)O
2.1.5 Isomeric SMILES
CC1=CC(=CC=C1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O
2.2 Other Identifiers
2.2.1 UNII
GT0I9SV4F6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Afq056

2.3.2 Depositor-Supplied Synonyms

1. 543906-09-8

2. Afq056

3. Afq-056

4. (3ar,4s,7ar)-octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1h-indole-1-carboxylic Acid Methyl Ester

5. Gt0i9sv4f6

6. Methyl (3ar,4s,7ar)-4-hydroxy-4-(m-tolylethynyl)octahydro-1h-indole-1-carboxylate

7. 1h-indole-1-carboxylic Acid, Octahydro-4-hydroxy-4-(2-(3-methylphenyl)ethynyl)-, Methyl Ester, (3ar,4s,7ar)-

8. Methyl (3ar,4s,7ar)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2h-indole-1-carboxylate

9. (-)-(3ar,4s,7ar)-4-hydroxy-4-m-tolylethynyl-octahydro-indole-1-carboxylic Acid Methyl Ester

10. Mavoglurant [inn]

11. Mavoglurant [usan:inn]

12. Unii-gt0i9sv4f6

13. Afq 056

14. 4oo9

15. Mavoglurant, Afq056

16. Mavoglurant [usan]

17. Mavoglurant [who-dd]

18. Schembl989279

19. Gtpl7586

20. Chembl3087515

21. Dtxsid30202777

22. Bcp20624

23. Ex-a1564

24. Zinc3817189

25. Bdbm50443085

26. Cs-5245

27. Db13004

28. As-79009

29. Hy-15257

30. Db-102250

31. Q6589598

32. (3ar,4s,7ar)-methyl 4-hydroxy-4-(m-tolylethynyl)octahydro-1h-indole-1-carboxylate

33. Methyl (3ar,4s,7ar)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1h-indole-1-carboxylate

34. 1h-indole-1-carboxylic Acid, Octahydro-4-hydroxy-4-((3-methylphenyl)ethynyl)-, Methyl Ester, (3ar,4s,7ar)-

35. 2u8

36. Methyl (3ar,4s,7ar)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]octahydro-1h-indole-1-carboxylate

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 313.4 g/mol
Molecular Formula C19H23NO3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area49.8
Heavy Atom Count23
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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