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6-Hydroxy Warfarin

CAT: 1596-AR-W01011-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-W01011-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17834-02-5
Synonyms
4,6-dihydroxy-3- (3-oxo-1-phenylbutyl) -2H-chromen-2-one;6-monohydroxywarfarin; Warfarin-alcohol;3- (alpha-Acetonylbenzyl) -4,6-dihydrocoumarin;3- (.alpha.-Acetonylbenzyl) -4,6-dihydroxycoumarin;2H-1-Benzopyran-2-one,4,6-dihydroxy-3- (3-oxo-1-phenylbutyl) -;4,6-Dihydroxy-3- (3-oxo-1-phenylbutyl) -2H-1-benzopyran-2-one
Molecular Formula
C19H16O5
Molecular Weight
324.34
API Name
Warfarin

Chemical Information

6-Hydroxywarfarin

6-hydroxywarfarin is a hydroxycoumarin.

CAS Number17834-02-5
PubChem CID54682459
IUPAC Name4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Molecular FormulaC19H16O5
Molecular Weight324.3
XLogP2.3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3)O)OC2=O)O
InChI
InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3
InChIKey
IQWPEJBUOJQPDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxywarfarin
CAS: 17834-02-5
CID: 54682459
Formula: C19H16O5
MW: 324.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.3
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass324.09977361
Monoisotopic Mass324.09977361
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-W01015-018-Hydroxy Warfarin
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AR-W01013-01(R) -7-Hydroxy Warfarin
AR-W01005-01Warfarin
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Alternative Products

CatalogName
T36725-016-hydroxy Warfarin
TRC-H996122-100MG6-Hydroxy Warfarin-d5
sc-488244(S) -6-Hydroxy warfarin
sc-488243(R) -6-Hydroxy warfarin
TRC-H996116-25MG(S)-6-Hydroxy Warfarin
279239-016-Hydroxy warfarin discontinued
0146606-Hydroxy Warfarin-d5 discontinued
1621496-Hydroxy Warfarin β-D-Glucuronide discontinued
T36769-0110-hydroxy Warfarin
TRC-H996095-10MG3’-Hydroxy Warfarin

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