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    Betrixaban Maleate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 936539-80-9, Bevyxxa, Betrixaban (maleate), Betrixaban maleate [who-dd], 28z3021tmu, N-(5-chloropyridin-2-yl)-2-(4-(n,n-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide maleate
    Molecular Formula
    C27H26ClN5O7
    Molecular Weight
    568.0  g/mol
    InChI Key
    DTSJEZCXVWQKCL-BTJKTKAUSA-N
    FDA UNII
    28Z3021TMU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide
    2.1.2 InChI
    InChI=1S/C23H22ClN5O3.C4H4O4/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20;5-3(6)1-2-4(7)8/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31);1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    DTSJEZCXVWQKCL-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    28Z3021TMU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Betrixaban

    2. Bevyxxa

    3. N-(5-chloropyridin-2-yl)-2-(4-(n,n-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide

    4. Prt054021

    2.3.2 Depositor-Supplied Synonyms

    1. 936539-80-9

    2. Bevyxxa

    3. Betrixaban (maleate)

    4. Betrixaban Maleate [who-dd]

    5. 28z3021tmu

    6. N-(5-chloropyridin-2-yl)-2-(4-(n,n-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide Maleate

    7. (z)-but-2-enedioic Acid;n-(5-chloropyridin-2-yl)-2-[[4-(n,n-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide

    8. Benzamide, N-(5-chloro-2-pyridinyl)-2-((4-((dimethylamino)iminomethyl)benzoyl)amino)-5-methoxy-, (2z)-2-butenedioate (1:1)

    9. N-(5-chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide (2z)-2-butenedioate (1

    10. Betrixabanmaleate

    11. Unii-28z3021tmu

    12. Betrixaban Maleate [mi]

    13. Schembl20587587

    14. Hy-10268a

    15. S5389

    16. Akos037515630

    17. Ccg-270080

    18. Ac-35182

    19. Bs-52375

    20. Cs-0022563

    21. E84423

    22. Betrixaban Maleate Salt; Betrixaban Monomaleate; 936539-80-9; Unii-28z3021tmu; 28z3021tmu

    2.4 Create Date
    2007-05-29
    3 Chemical and Physical Properties
    Molecular Weight 568.0 g/mol
    Molecular Formula C27H26ClN5O7
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass567.1520759 g/mol
    Monoisotopic Mass567.1520759 g/mol
    Topological Polar Surface Area182 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity787
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Prevention of venous thromboembolism

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Factor Xa Inhibitors

    Endogenous factors and drugs that inhibit or block the activity of FACTOR XA. (See all compounds classified as Factor Xa Inhibitors.)

    5.2 ATC Code

    B01AF