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Warfarin Sodium

CAT: 1596-AR-W01031-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-W01031-01Size:10 Units
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CAS Number
129-06-6
Synonyms
3- (α-Acetonylbenzyl) -4-hydroxycoumarin sodium; 4-Hydroxy-3- (3-oxo-1-phenylbutyl) coumarin
Molecular Formula
C19H16O4.Na
Molecular Weight
307.33, 22.99
API Name
Warfarin

Chemical Information

Warfarin Sodium

Warfarin sodium is a slightly bitter crystalline powder. An anticoagulant used as a rodenticide. (EPA, 1998)

CAS Number129-06-6
PubChem CID16204922
IUPAC Namesodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
Molecular FormulaC19H15NaO4
Molecular Weight330.3
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity507
SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
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
InChIKey
KYITYFHKDODNCQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Warfarin Sodium
CAS: 129-06-6
CID: 16204922
Formula: C19H15NaO4
MW: 330.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass330.08680324
Monoisotopic Mass330.08680324
Topological Polar Surface Area66.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-W01005-01Warfarin
AR-W01001-01Warfarin-d5
AR-W01008-01Dehydro Warfarin
AR-W01017-01Warfarin impurity
AR-W01006-01(R) -Warfarin
AR-W01007-01(S) -Warfarin
AR-W01038-01(S) -Warfarin-d5
AR-W01009-01(S) -Warfarin-d5
AR-W01015-018-Hydroxy Warfarin
AR-W01011-016-Hydroxy Warfarin

Alternative Products

CatalogName
318985Warfarin sodium
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RM-W011823-01Warfarin Sodium Impurity 23 ((S) -Warfarin)
468797-01(±) -Warfarin Sodium discontinued
RM-W011819-01Warfarin Sodium Impurity 19
RM-W011821-01Warfarin Sodium Impurity 21
RM-W011826-01Warfarin Sodium Impurity 26
RM-W011839-01Warfarin Sodium Impurity 39
RM-W011837-01Warfarin Sodium Impurity 37

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