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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 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 Formula	C₁₉H₂₃NO₃
Molecular Weight	313.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.8
Heavy Atom Count	23
Formal Charge	0
Complexity	519
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