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    Draflazine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 120770-34-5, R-75231, (s)-draflazine, 1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide, R 75231, R75231
    Molecular Formula
    C30H33Cl2F2N5O2
    Molecular Weight
    604.5  g/mol
    InChI Key
    IWMYIWLIESDFRZ-UHFFFAOYSA-N
    FDA UNII
    0Y25DT968Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)
    2.1.3 InChI Key
    IWMYIWLIESDFRZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(C(CN1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)CC(=O)NC4=C(C=C(C=C4Cl)N)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0Y25DT968Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-aminocarbonyl-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)-pentyl)-1-piperazineacetamide

    2. R 75 231

    3. R 75231

    4. R 88 016

    5. R 88016

    6. R-75231

    7. R-88016

    8. R75231

    2.3.2 Depositor-Supplied Synonyms

    1. 120770-34-5

    2. R-75231

    3. (s)-draflazine

    4. 1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide

    5. R 75231

    6. R75231

    7. 0y25dt968y

    8. R-70380

    9. Draflazinum

    10. R70380

    11. Draflazina

    12. Draflazinum [inn-latin]

    13. Draflazina [inn-spanish]

    14. Draflazine [usan:inn:ban]

    15. Unii-0y25dt968y

    16. Draflazine [inn]

    17. Draflazine (usan/inn)

    18. Draflazine [usan]

    19. (+-)-4'-amino-4-(5,5-bis(p-fluorophenyl)pentyl)-2-carbamoyl-2',6'-dichloro-1-piperazineacetanilide

    20. 1-piperazineacetamide, 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-

    21. Schembl215826

    22. Gtpl4590

    23. Chembl1628717

    24. Dtxsid60869655

    25. Benzenemethanesulfonylchloride, 2-methyl-

    26. 1-piperazineacetamide, 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-,(+-)-

    27. Db-057830

    28. Hy-106841

    29. Cs-0026695

    30. Ft-0743995

    31. D03906

    32. Q27077112

    33. (+/-)-2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-1-piperazine-acetamide

    34. (+/-)-4'-amino-4-(5,5-bis(p-fluorophenyl)pentyl)-2-carbamoyl-2',6'-dichloro-1-piperazineacetanilide

    35. 1-{[(4-amino-2,6-dichlorophenyl)carbamoyl]methyl}-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide

    36. 1-piperazineacetamide, 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-, (+/-)-

    37. 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-1-piperazineacetamide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 604.5 g/mol
    Molecular Formula C30H33Cl2F2N5O2
    XLogP35.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count11
    Exact Mass603.1979370 g/mol
    Monoisotopic Mass603.1979370 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity810
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cardiotonic Agents

    Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)

    Platelet Aggregation Inhibitors

    Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)