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10-hydroxy Warfarin

CAT: 0931-T36769-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T36769-01Size:500 µg
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CAS Number
83219-99-2
Target
Others, Drug Metabolite, Cytochromes P450
Related Pathways
Others, Metabolism
Bioactivity
10-hydroxy Warfarin is a metabolite of (R) -warfarin .1It is formed from (R) -warfarin by the cytochrome P450 (CYP) isoform CYP3A4. 10-hydroxy Warfarin is an inhibitor of CYP2C9 (IC50= 1.6 μM), the enzyme that converts (S) -warfarin to its 6-hydroxy warfarin and 7-hydroxy warfarin metabolites.2
Smiles
CC(=O)C(O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O
Molecular Formula
C19H16O5
Molecular Weight
324.332
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

10-Hydroxywarfarin

4-hydroxy-3-(2-hydroxy-3-oxo-1-phenylbutyl)-2H-chromen-2-one is a hydroxycoumarin.

CAS Number83219-99-2
PubChem CID54692492
IUPAC Name4-hydroxy-3-(2-hydroxy-3-oxo-1-phenylbutyl)chromen-2-one
Molecular FormulaC19H16O5
Molecular Weight324.3
XLogP1.6
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)C(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)O
InChI
InChI=1S/C19H16O5/c1-11(20)17(21)15(12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)24-19(16)23/h2-10,15,17,21-22H,1H3
InChIKey
BPZSPAZBZFZZBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Hydroxywarfarin
CAS: 83219-99-2
CID: 54692492
Formula: C19H16O5
MW: 324.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.3
XLogP31.6
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 Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T36725-016-hydroxy Warfarin
TMIJ-0201-017-Hydroxy Warfarin-d5
T60736Warfarin
T0815L-01Warfarin sodium
TMIH-0606-01Warfarin-d5
T36666-01Dehydro Warfarin
T19708-01(S) -Warfarin
TXB-00136-01(R) - (+) -Warfarin
TN556010-Hydroxy majoroside
TMIH-0471-01R- (+) -Warfarin-d5

Alternative Products

CatalogName
GTR19191156-0110-hydroxy Warfarin
TRC-H996160-50MG10-Hydroxy Warfarin(Mixture of Diastereomers)
sc-48825810-Hydroxy warfarin β-D-glucuronide
sc-20883210-Hydroxy Warfarin (Mixture of Diastereomers)
TRC-H996162-25MG10-Hydroxy Warfarin-d5(Mixture of Diastereomers)
TRC-H996165-25MG10-Hydroxy Warfarin beta-D-Glucuronide
TRC-H996095-10MG3’-Hydroxy Warfarin
TRC-H996140-5MG8-Hydroxy Warfarin
TRC-H996100-25MG4’-Hydroxy Warfarin
TRC-H996130-5MG7-Hydroxy Warfarin

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