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    Lixivaptan

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 168079-32-1, Vpa-985, Way-vpa-985, Lixar, Vpa 985, N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
    Molecular Formula
    C27H21ClFN3O2
    Molecular Weight
    473.9  g/mol
    InChI Key
    PPHTXRNHTVLQED-UHFFFAOYSA-N
    FDA UNII
    8F5X4B082E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
    2.1.2 InChI
    InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
    2.1.3 InChI Key
    PPHTXRNHTVLQED-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    8F5X4B082E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-fluoro-2-methyl-n-(4-(5h-pyrrolo(2,1-c)-(1,4)benzodiazepin-10-(11h)-ylcarbonyl)-3-chlorophenyl)benzamide

    2. Crtx 080

    3. Crtx-080

    4. Crtx080

    5. N-4-(3-chloro-4-(5h-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11h)-ylcarbonyl)phenyl)-5-fluoro-2-methylbenzamide

    6. Vpa 985

    7. Vpa-985

    8. Way Vpa-985

    9. Way-vpa-985

    2.3.2 Depositor-Supplied Synonyms

    1. 168079-32-1

    2. Vpa-985

    3. Way-vpa-985

    4. Lixar

    5. Vpa 985

    6. N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide

    7. Crtx-080

    8. Vpa985

    9. Chembl49429

    10. Crtx 080

    11. 8f5x4b082e

    12. Lixivaptan [usan:inn]

    13. 3'-chloro-5-fluoro-4'-(5h-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11h)-ylcarbonyl)-o-toluanilide

    14. Benzamide, N-(3-chloro-4-(5h-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11h)-ylcarbonyl)phenyl)-5-fluoro-2-methyl-

    15. Benzamide, N-[3-chloro-4-(5h-pyrrolo[2,1-c][1,4]benzodiazepin-10(11h)-ylcarbonyl)phenyl]-5-fluoro-2-methyl-

    16. N-(3-chloro-4-(10,11-dihydro-5h-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)phenyl)-5-fluoro-2-methylbenzamide

    17. Lixivaptan (usan/inn)

    18. Way Vpa-985

    19. Way-vpa 985

    20. Unii-8f5x4b082e

    21. Lixivaptan [usan]

    22. Lixivaptan [mi]

    23. Lixivaptan [inn]

    24. Lixivaptan (vpa-985)

    25. Lixivaptan [vandf]

    26. Lixivaptan [mart.]

    27. Lixivaptan [who-dd]

    28. Gtpl2238

    29. Schembl1649340

    30. Dtxsid00168472

    31. Hms3747a19

    32. Zinc600399

    33. Bcp09167

    34. Ex-a1129

    35. Vpa-985;way-vpa 985

    36. Bdbm50065115

    37. Mfcd00937905

    38. Akos022181388

    39. Cs-7512

    40. Db06666

    41. Ncgc00485402-01

    42. Ac-26832

    43. Bs-15602

    44. Hy-14185

    45. Db-064673

    46. Ft-0670828

    47. D04752

    48. L001508

    49. 2-chloro-6,7,8,9-tetrahydrobenzocyclohepten-5-one

    50. Q6659958

    51. 3-chloro-4-(10,11-dihydro-5h-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-ylcarbonyl)-1-(5-fluoro-2-methylphenylcarboxamido)benzene

    52. 5-fluoro-2-methyl-n-(4-(5h-pyrrolo(2,1-c)-(1,4)benzodiazepin-10-(11h)-ylcarbonyl)-3-chlorophenyl)benzamide

    53. Benzamide, N-(3-chloro-4-(5h-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11h)-ylcarbonyl)phenyl)-5-fluoro-2-methyl-;

    54. N-[4-(5h,11h-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-5-fluoro-2-methyl-benzamide

    55. N-[4-(5h-pyrrolo[2,1-c][1,4]benzodiazepin-10(11h)-ylcarbony)-3-chlorophenyl]-5-fluoro-2-methylbenzamide

    56. N-[4-(5h-pyrrolo[2,1-c][1,4]benzodiazepin-10(11h)-ylcarbonyl)-3-chlorophenyl]-5-fluoro-2-methyl-benzamide

    57. N-[4-(5h-pyrrolo[2,1-c][1,4]benzodiazepin-10(11h)-ylcarbonyl)-3-chlorophenyl]-5-fluoro-2-methylbenzamide

    58. N-[4-(5h-pyrrolo[2,1-c][1,4]benzodiazepin-10(11h)ylcarbonyl)-3-chlorophenyl]-5-fluoro-2-methylbenzamide

    59. N-[4-(5h-pyrrolo[2,1-c][1,4]benzodiazepin10(11h)-ylcarbonyl)-3-chlorophenyl]-5-fluoro-2-methylbenzamide

    60. N-4-(3-chloro-4-(5h-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11h)-ylcarbonyl)phenyl)-5-fluoro-2-methylbenzamide

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 473.9 g/mol
    Molecular Formula C27H21ClFN3O2
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass473.1306328 g/mol
    Monoisotopic Mass473.1306328 g/mol
    Topological Polar Surface Area54.3 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity753
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in hyponatremia and congestive heart failure.

    Treatment of hyponatraemia