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    Tirofiban Hydrochloride Monohydrate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Tirofiban hydrochloride monohydrate, 150915-40-5, Tirofiban hcl, Tirofiban hydrochloride hydrate, Aggrastat, Tirofiban (hydrochloride monohydrate)
    Molecular Formula
    C22H39ClN2O6S
    Molecular Weight
    495.1  g/mol
    InChI Key
    HWAAPJPFZPHHBC-FGJQBABTSA-N
    FDA UNII
    6H925F8O5J
    Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H36N2O5S.ClH.H2O/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H;1H2/t21-;;/m0../s1
    2.1.3 InChI Key
    HWAAPJPFZPHHBC-FGJQBABTSA-N
    2.1.4 Canonical SMILES
    CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl
    2.1.5 Isomeric SMILES
    CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6H925F8O5J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aggrastat

    2. Agrastat

    3. L 700,462

    4. L 700462

    5. L-700,462

    6. L-700462

    7. L700,462

    8. Mk 383

    9. Mk-383

    10. N-(butylsulfonyl)-o-(4-(4-piperidyl)butyl)-l-tyrosine

    11. Tirofiban

    12. Tirofiban Hydrochloride Monohydrate

    2.3.2 Depositor-Supplied Synonyms

    1. Tirofiban Hydrochloride Monohydrate

    2. 150915-40-5

    3. Tirofiban Hcl

    4. Tirofiban Hydrochloride Hydrate

    5. Aggrastat

    6. Tirofiban (hydrochloride Monohydrate)

    7. Tirofiban Hcl Hydrate

    8. Tirofiban Hcl Monohydrate

    9. 142373-60-2

    10. Tirofiban Hydrochloride [usan]

    11. Mk-383 Hydrochloride

    12. Chebi:9606

    13. Mk 383

    14. Mk-383

    15. 6h925f8o5j

    16. L-700,462

    17. Ncgc00182085-01

    18. L 700462

    19. Tirofibanhydrochloridemonohydrate

    20. Dsstox_cid_28561

    21. Dsstox_rid_82833

    22. N-(butylsulfonyl)-4-(4-(4-piperidyl)butoxy)-l-phenylalanine Monohydrochloride Monohydrate

    23. Dsstox_gsid_48635

    24. Tirofiban Hydrochloride (usan)

    25. L-700462

    26. L-tyrosine, N-(butylsulfonyl)-o-(4-(4-piperidinyl)butyl)-, Monohydrochloride, Monohydrate

    27. N-(butylsulfonyl)-o-(4-piperidin-4-ylbutyl)-l-tyrosine Hydrochloride Monohydrate

    28. (2s)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic Acid Hydrochloride Monohydrate

    29. (s)-2-(butylsulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoic Acid Hydrochloride Hydrate

    30. Cas-150915-40-5

    31. Unii-6h925f8o5j

    32. Aggrastat (tn)

    33. 4-(4-pyridinyl)butanol Hydrochloride

    34. Tirofiban, Hydrochloride

    35. Schembl41325

    36. Chembl3189072

    37. Dtxsid5048635

    38. Tirofibanhydrochloride Monohydrate

    39. Act04424

    40. Bcp06919

    41. Tox21_112980

    42. Mfcd07368623

    43. S8594

    44. Tox21_112980_1

    45. Ccg-222411

    46. Cs-0948

    47. Tirofiban Hydrochloride [mart.]

    48. Tirofiban Hydrochloride [vandf]

    49. Ncgc00263584-01

    50. (2s)-2-(butylsulfonylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic Acid Hydrochloride Hydrate

    51. As-11027

    52. Bt164476

    53. Hy-17369

    54. Tirofiban Hydrochloride Monohydrate- Bio-x

    55. Tirofiban Hydrochloride [orange Book]

    56. D01029

    57. Tirofiban Hydrochloride Monohydrate [mi]

    58. 373t602

    59. A908673

    60. Q-101314

    61. Tirofiban Hydrochloride Monohydrate [who-dd]

    62. Tirofiban Hydrochloride Monohydrate, >=98% (hplc)

    63. Q27108448

    64. L-tyrosine, N-(butylsulfonyl)-o-(4-(4-piperidinyl)butyl)-, Hydrochloride, Hydrate (1:1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 495.1 g/mol
    Molecular Formula C22H39ClN2O6S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count14
    Exact Mass494.2217358 g/mol
    Monoisotopic Mass494.2217358 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity579
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 1  
    Drug NameAGGRASTAT
    Active IngredientTIROFIBAN HYDROCHLORIDE
    CompanyMEDICURE (Application Number: N020912. Patents: 5733919, 5965581, 5972967, 5978698, 6136794, 6770660); MEDICURE (Application Number: N020913. Patents: 5733919, 5965581, 5972967, 5978698, 6136794, 6770660)

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    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.)

    Fibrinolytic Agents

    Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)