CAS 94820-66-3

2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-[3-oxo-1-(phenyl-d5)butyl]-

Description:

2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-[3-oxo-1-(phenyl-d5)butyl]- (CAS 94820-66-3) is a synthetic organic compound characterized by its complex structure, which includes a benzopyran moiety and multiple hydroxyl groups. This compound features a chromone backbone, which is a fused ring system consisting of a benzene ring and a pyran ring. The presence of hydroxyl groups at the 4 and 8 positions contributes to its potential biological activity, possibly enhancing its solubility and reactivity. The compound also contains a ketone functional group, indicated by the "3-oxo" descriptor, which may influence its reactivity and interactions with other molecules. The phenyl-d5 substituent suggests the presence of deuterium-labeled phenyl groups, which can be useful in tracing studies or in applications requiring isotopic labeling. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and related fields.

Formula: C₁₉H₁₁D₅O₅

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

InChI key: InChIKey=BHBOXPNWDGYJNB-QRKCWBMQSA-N

SMILES: C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=C(O)C=CC2)C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H]

Synonyms:

• 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-[3-oxo-1-(phenyl-d5)butyl]-

8-Hydroxy Warfarin-d5

Controlled Product

CAS: 94820-66-3

Applications A labelled minor CYP1A2 metabolite of Warfarin.
References Nelsestuen, G., et al.: J. Biol. Chem., 249, 6347 (1974), Zhang, Z., et al.: Drug Metab. Dispos., 23, 1339 (1995), Evans, W., et al.: Science, 286, 487 (1999),

Formula: C₁₉₂H₅H₁₁O₅

Color and Shape: Neat

Molecular weight: 329.36

Ref: TR-H996142

8-Hydroxy warfarin-d5

CAS: 94820-66-3

8-Hydroxy warfarin-d5 is a drug product that is an impurity standard for the metabolism of warfarin. It is an analytical standard that can be used to determine the concentration of warfarin in a sample. The CAS number for 8-Hydroxy warfarin-d5 is 94820-66-3, and it has a molecular weight of 318.83 g/mol. This compound can be synthesized from natural sources or by chemical synthesis. 8-Hydroxy warfarin-d5 may also be used as a research and development tool in pharmacology, drug development, and toxicology studies.

Formula: C₁₉H₁₁D₅O₅

Purity: Min. 95%

Molecular weight: 329.36 g/mol

Ref: 3D-UDA82066