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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