ChemicalBook--->CAS DataBase List--->94820-65-2

94820-65-2

94820-65-2 Structure

94820-65-2 Structure
IdentificationBack Directory
[Name]

PHENYL-D5-7-HYDROXYWARFARIN
[CAS]

94820-65-2
[Synonyms]

[2H5]-7-Hydroxy Warfarin
PHENYL-D(5)-HYDROXYWARFARIN
3-(α-Acetonylbenzyl)-4,7-dihydroxycouMarin-d5
4,6-dihydroxy-3-(3-oxo-1-(phenyl-d5)butyl)-2H-chromen-2-one
4,7-Dihydroxy-3-(3-oxo-1-[phenyl-d5)butyl]-2H-1-benzopyran-2-one
[Molecular Formula]

C19H11D5O5
[MDL Number]

MFCD00272675
[MOL File]

94820-65-2.mol
[Molecular Weight]

329.36
Chemical PropertiesBack Directory
[Melting point ]

201-203 °C
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

white
[Stability:]

Hygroscopic
[InChI]

1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3/i2D,3D,4D,5D,6D
[InChIKey]

SKFYEJMLNMTTJA-VIQYUKPQSA-N
[SMILES]

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(CC(C)=O)C2=C(O)c3ccc(O)cc3OC2=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-41
[Safety Statements ]

26-39
[WGK Germany ]

3
[HS Code ]

9999999999
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Hazard InformationBack Directory
[Uses]

7-Hydroxywarfarin internal standard.
[Uses]

A labelled metabolite of Warfarin (W498500) in humans.
[Biochem/physiol Actions]

Labeled metabolite of warfarin.
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