Name: (R,S)-Naproxen-[d6] acyl-β-D-glucuronide
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015402

CAS: 2892641-76-6

Molecular Formula: C20H16D6O9

Molecular Weight: 412.42

Chemical Structure

Description	(R,S)-Naproxen-[d6] acyl-β-D-glucuronide is the labelled metabolite of Naproxen, which is a non-selective COX inhibitor used for the treatment of rheumatoid arthritis and gout.
Synonyms	(R,S)-Naproxen-d6 acyl-β-D-glucuronide; Naproxen-d6 acyl-β-D-glucuronide; (±)-Naproxen-d6 acyl-β-D-glucuronide; rac Naproxen-d6 acyl-β-D-glucuronide; 1-[6-Methoxy-α-methyl-2-(naphthalene-1,3,4,5,7,8-d6)acetate] β-D-glucopyranuronic acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((2-(6-methoxynaphthalen-2-yl-1,3,4,5,7,8-d6)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
IUPAC Name	(2S,3S,4S,5R,6S)-6-[2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	120143-21-7 (unlabelled)
Canonical SMILES	[2H]C1=C(C(=C(C2=C1C(=C(C(=C2[2H])[2H])OC)[2H])[2H])C(C)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[2H]
InChI	InChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9?,14-,15-,16+,17-,20-/m0/s1/i3D,4D,5D,6D,7D,8D
InChI Key	XRHIELLXTVJOKM-MYBRUFCFSA-N
Purity	≥95%; 95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White amorphous solid
Storage	Store at -20 °C