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Chemistry

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Also known as: Potassium warfarin, 2610-86-8, Warfarin-potassium, Athrombin-k, Warfarin-potassium [iso], 3-(alpha-acetonylbenzyl)-4-hydroxycoumarin potassium salt
Molecular Formula
C19H15KO4
Molecular Weight
346.4  g/mol
InChI Key
WSHYKIAQCMIPTB-UHFFFAOYSA-M
FDA UNII
I47IU4FOCO

Potassium Warfarin
An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.
1 2D Structure

Potassium Warfarin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
potassium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
2.1.2 InChI
InChI=1S/C19H16O4.K/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1
2.1.3 InChI Key
WSHYKIAQCMIPTB-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[K+]
2.2 Other Identifiers
2.2.1 UNII
I47IU4FOCO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2h-1-benzopyran-2-one

2. Aldocumar

3. Apo-warfarin

4. Coumadin

5. Coumadine

6. Gen-warfarin

7. Marevan

8. Potassium, Warfarin

9. Sodium, Warfarin

10. Tedicumar

11. Warfant

12. Warfarin

13. Warfarin Sodium

2.3.2 Depositor-Supplied Synonyms

1. Potassium Warfarin

2. 2610-86-8

3. Warfarin-potassium

4. Athrombin-k

5. Warfarin-potassium [iso]

6. 3-(alpha-acetonylbenzyl)-4-hydroxycoumarin Potassium Salt

7. I47iu4foco

8. 2h-1-benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, Potassium Salt

9. Antrombin K

10. Warfarin K

11. Dsstox_cid_22324

12. Dsstox_rid_79995

13. Dsstox_gsid_42324

14. Warfarin Potassium [jan]

15. Cas-2610-86-8

16. Ncgc00094810-04

17. Unii-i47iu4foco

18. Warfarin Potassium [usp:jan]

19. Athrombin-k (tn)

20. Glucoheptonicacid

21. Warfarin Potassium (jp17)

22. Schembl36363

23. Chembl1200772

24. Dtxsid5042324

25. Warfarin Potassium [who-dd]

26. Tox21_111637

27. Coumarin, 3-(alpha-acetonylbenzyl)-4-hydroxy-, Potassium Salt

28. Tox21_111637_1

29. Warfarin Potassium [orange Book]

30. D01280

31. Q27280410

32. Potassium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate

33. 3-(.alpha.-acetonylbenzyl)-4-hydroxycoumarin Potassium Salt

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 346.4 g/mol
Molecular Formula C19H15KO4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass346.06074044 g/mol
Monoisotopic Mass346.06074044 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anticoagulants

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)


Rodenticides

Substances used to destroy or inhibit the action of rats, mice, or other rodents. (See all compounds classified as Rodenticides.)


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