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    Technical details about Nelivaptan, learn more about the structure, uses, toxicity, action, side effects and more

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    Nelivaptan

    DEVELOPMENTS

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 439687-69-1, Ssr149415, Ssr 149415, Sr-149415, Nelivaptan [inn], Ssr-149415
    Molecular Formula
    C30H32ClN3O8S
    Molecular Weight
    630.1  g/mol
    InChI Key
    NJXZWIIMWNEOGJ-WEWKHQNJSA-N
    FDA UNII
    3TY57MQ4OA
    Nelivaptan has been used in trials studying the treatment of Anxiety Disorders, Depressive Disorder, and Major Depressive Disorder.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
    2.1.3 InChI Key
    NJXZWIIMWNEOGJ-WEWKHQNJSA-N
    2.1.4 Canonical SMILES
    CN(C)C(=O)C1CC(CN1C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O
    2.1.5 Isomeric SMILES
    CN(C)C(=O)[C@@H]1C[C@H](CN1[C@]2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O
    2.2 Other Identifiers
    2.2.1 UNII
    3TY57MQ4OA
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(5-chloro-1-((2,4-dimethoxyphenyl)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1h-indol-3-yl)-4-hydroxy-n,n-dimethyl-2-pyrrolidinecarboxamide

    2. Ssr 149415

    3. Ssr-149415

    4. Ssr149415

    2.3.2 Depositor-Supplied Synonyms

    1. 439687-69-1

    2. Ssr149415

    3. Ssr 149415

    4. Sr-149415

    5. Nelivaptan [inn]

    6. Ssr-149415

    7. Unii-3ty57mq4oa

    8. Ssr-149,415

    9. 3ty57mq4oa

    10. Chembl582857

    11. (2s,4r)-1-[(3r)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-n,n-dimethylpyrrolidine-2-carboxamide

    12. Dtxsid7047358

    13. (2s,4r)-1-[(r)-5-chloro-1-(2,4-dimethoxy-benzenesulfonyl)-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1h-indol-3-yl]-4-hydroxy-pyrrolidine-2-carboxylic Acid Dimethylamide

    14. D08vyz

    15. D0sy9b

    16. Nelivaptan [who-dd]

    17. Gtpl2202

    18. Dtxcid5027358

    19. Schembl14517029

    20. Tox21_300240

    21. Bdbm50299343

    22. Akos040749010

    23. At33977

    24. Db12643

    25. Ncgc00247960-01

    26. Ncgc00254222-01

    27. 1-(5-chloro-1-((2,4-dimethoxyphenyl)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1h-indol-3-yl)-4-hydroxy-n,n-dimethyl-2-pyrrolidinecarboxamide

    28. Cas-439687-69-1

    29. Q6989992

    30. (2s,4r)-1-((3r)-5-chloro-1-((2,4-dimethoxybenzene)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1h-indol-3-yl)-4-hydroxy-n,n-dimethylpyrrolidine-2-carboxamide

    31. (2s,4r)-1-((r)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxoindolin-3-yl)-4-hydroxy-n,n-dimethylpyrrolidine-2-carboxamide

    32. (2s,4r)-1-[(3r)-5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1h-indol-3-yl]-4-hydroxy-n,n-dimethyl-2-pyrrolidinecarboxamide

    33. (2s,4r)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1h-indol-3-yl]-4-hydroxy-n,ndimethyl-2-pyrrolidine Carboxamide

    34. 2-pyrrolidinecarboxamide, 1-((3r)-5-chloro-1-((2,4-dimethoxyphenyl)sulfonyl)-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1h-indol-3-yl)-4-hydroxy-n,n-dimethyl-, (2s,4r)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 630.1 g/mol
    Molecular Formula C30H32ClN3O8S
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area134
    Heavy Atom Count43
    Formal Charge0
    Complexity1140
    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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