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    Technical details about MolPort-002-130-141, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-002-130-141

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    2D Structure
    Also known as: 129-06-6, Sodium warfarin, Jantoven, Aldocumar, Athrombin, Marevan
    Molecular Formula
    C19H15NaO4
    Molecular Weight
    330.3  g/mol
    InChI Key
    KYITYFHKDODNCQ-UHFFFAOYSA-M
    FDA UNII
    6153CWM0CL
    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

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
    2.1.2 InChI
    InChI=1S/C19H16O4.Na/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
    KYITYFHKDODNCQ-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    6153CWM0CL
    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 Potassium

    2.3.2 Depositor-Supplied Synonyms

    1. 129-06-6

    2. Sodium Warfarin

    3. Jantoven

    4. Aldocumar

    5. Athrombin

    6. Marevan

    7. Zoocoumarin Sodium Salt

    8. Warfarin Sodium Salt

    9. Apo-warfarin

    10. Warfarin (sodium)

    11. Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2h-chromen-4-olate

    12. Warfarin Sodium [usp]

    13. 3-(alpha-acetonylbenzyl)-4-hydroxycoumarin Sodium Salt

    14. 6153cwm0cl

    15. Warfarin Sodium Clathrate

    16. 2h-1-benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, Sodium Salt

    17. 67430-45-9

    18. Coumadine

    19. Dicusat

    20. Marevam

    21. Orfarin

    22. Tintorane

    23. Varfine

    24. Warcoumin

    25. Warfarin Sodium (usp)

    26. Warfilone

    27. Simarc

    28. Coumadin Sodium

    29. Sodium Coumadin

    30. Uniwarfin

    31. Ratsul Soluble

    32. Coumadan Sodico

    33. Coumafene Sodium

    34. Warfarinsodium

    35. Sodium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate

    36. Warfarin, Sodium Salt

    37. Caswell No. 903a

    38. Warfarin-sodium

    39. (+-)-warfarin Sodium

    40. Warfarin, Sodium Deriv.

    41. Einecs 204-929-4

    42. 3-(3-oxo-1-phenylbutyl)-4-sodiooxy-2h-1-benzopyran-2-one

    43. Epa Pesticide Chemical Code 086003

    44. Unii-6153cwm0cl

    45. Warfarinum Natricum

    46. Coumadin (tn)

    47. Jantoven (tn)

    48. Einecs 226-909-4

    49. Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2h-1-benzopyran-4-yl)oxy)-

    50. Warfarin Sodium Clatharate

    51. Schembl7826

    52. Dsstox_cid_15010

    53. Dsstox_rid_79236

    54. Dsstox_gsid_35010

    55. Mls001074341

    56. Warfarin Sodium [vandf]

    57. Chembl1200879

    58. Dtxsid7035010

    59. Warfarin Sodium [mart.]

    60. Hy-b0687a

    61. Warfarin Sodium [who-dd]

    62. Warfarin Sodium [who-ip]

    63. Warfarin Sodium Salt [mi]

    64. Coumarin, 3-(alpha-acetonylbenzyl)-4-hydroxy-, Sodium Salt

    65. Hms2233p10

    66. Hms3259g13

    67. Hms3369m10

    68. Bcp20702

    69. Tox21_301545

    70. Bdbm50248297

    71. Warfarin Sodium [orange Book]

    72. Akos015951251

    73. Akos015955387

    74. Warfarin Sodium [ep Monograph]

    75. Ac-8078

    76. Cs-w019743

    77. Nc00490

    78. Warfarin Sodium [usp Monograph]

    79. Ncgc00255556-01

    80. Ac-19972

    81. Cas-129-06-6

    82. Smr000058849

    83. Warfarinum Natricum [who-ip Latin]

    84. W0005

    85. Warfarin Sodium (contains Isopropyl Alcohol)

    86. D00564

    87. O12075

    88. A805899

    89. J-005647

    90. Sodium Warfarin;warf42 Sodium; Athrombine-k Sodium

    91. Q27263296

    92. 3-(alpha-acetonylbenzyl)-4-hydroxycoumarin Sodiuim Salt

    93. 4-hydroxy-3-(3-oxo-1-phenylbutyl)coumarin Sodium Salt

    94. Sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate

    95. 3-(.alpha.-acetonylbenzyl)-4-hydroxycoumarin Sodium Salt

    96. Sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate

    97. 2h-1-benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, Sodium Salt (1:1)

    2.4 Create Date
    2007-07-11
    3 Chemical and Physical Properties
    Molecular Weight 330.3 g/mol
    Molecular Formula C19H15NaO4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass330.08680324 g/mol
    Monoisotopic Mass330.08680324 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 Drug and Medication Information
    4.1 Drug Information
    1 of 4  
    Drug NameJantoven
    PubMed HealthWarfarin
    Drug ClassesAnticoagulant
    Drug LabelJantovenTablets (crystalline warfarin sodium) is an anticoagulant which acts by inhibiting vitamin K-dependent coagulation factors. Chemically, it is 3-(and is a racemic mixture of the R- and S-enantiomers. Crystalline warfarin sodium is an isopropan...
    Active IngredientWarfarin sodium
    Dosage FormTablet
    RouteOral
    Strength2.5mg; 7.5mg; 1mg; 5mg; 4mg; 6mg; 2mg; 10mg; 3mg
    Market StatusPrescription
    CompanyUsl Pharma

    2 of 4  
    Drug NameWarfarin sodium
    Drug LabelWarfarin sodium tablet (crystalline warfarin sodium) is an anticoagulant, which acts by inhibiting vitamin K-dependent coagulation factors. Chemically, it is 3-(and is a racemic mixture of the R- and S-enantiomers. Crystalline warfarin sodium is an i...
    Active IngredientWarfarin sodium
    Dosage FormTablet
    RouteOral
    Strength2.5mg; 7.5mg; 1mg; 5mg; 4mg; 6mg; 2mg; 10mg; 3mg
    Market StatusPrescription
    CompanyAmneal Pharms; Taro; Invagen Pharms; Ipca Labs; Zydus Pharms Usa; Pliva; Mylan; Barr

    3 of 4  
    Drug NameJantoven
    PubMed HealthWarfarin
    Drug ClassesAnticoagulant
    Drug LabelJantovenTablets (crystalline warfarin sodium) is an anticoagulant which acts by inhibiting vitamin K-dependent coagulation factors. Chemically, it is 3-(and is a racemic mixture of the R- and S-enantiomers. Crystalline warfarin sodium is an isopropan...
    Active IngredientWarfarin sodium
    Dosage FormTablet
    RouteOral
    Strength2.5mg; 7.5mg; 1mg; 5mg; 4mg; 6mg; 2mg; 10mg; 3mg
    Market StatusPrescription
    CompanyUsl Pharma

    4 of 4  
    Drug NameWarfarin sodium
    Drug LabelWarfarin sodium tablet (crystalline warfarin sodium) is an anticoagulant, which acts by inhibiting vitamin K-dependent coagulation factors. Chemically, it is 3-(and is a racemic mixture of the R- and S-enantiomers. Crystalline warfarin sodium is an i...
    Active IngredientWarfarin sodium
    Dosage FormTablet
    RouteOral
    Strength2.5mg; 7.5mg; 1mg; 5mg; 4mg; 6mg; 2mg; 10mg; 3mg
    Market StatusPrescription
    CompanyAmneal Pharms; Taro; Invagen Pharms; Ipca Labs; Zydus Pharms Usa; Pliva; Mylan; Barr

    5 Pharmacology and Biochemistry
    5.1 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.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Vitamin K Inhibitors [MoA]; Vitamin K Antagonist [EPC]
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