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    Mavoglurant

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    DIGITAL CONTENT

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    2D Structure
    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

    2D Structure

    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