Name: (R,S)-Flurbiprofen-[d8] acyl-β-D-glucuronide
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015392

Molecular Formula: C21H13D8FO8

Molecular Weight: 428.44

Chemical Structure

Description	(R,S)-Flurbiprofen-[d8] acyl-β-D-glucuronide is the labelled metabolite of Flurbiprofen, which could be used as an analgesic and anti-inflammatory agent.
Synonyms	1-(2-Fluoro-α-methyl[1,1'-biphenyl-2',3,3',4',5,5',6,6'-d8]-4-acetate) β-D-glucopyranuronic acid; (2S,3S,4S,5R,6S)-6-[2-[3-Fluoro-4-(phenyl-2,3,4,5,6-d5)phenyl-2,5,6-d3]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC Name	(2S,3S,4S,5R,6S)-6-((2-(2-fluoro-[1,1'-biphenyl]-4-yl-2',3,3',4',5,5',6,6'-d8)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Related CAS	91683-37-3 (unlabelled)
Canonical SMILES	O=C([C@H]1O[C@@H](OC(C(C2=C([2H])C([2H])=C(C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])C(F)=C2[2H])C)=O)[C@H](O)[C@@H](O)[C@@H]1O)O
InChI	InChI=1S/C21H21FO8/c1-10(12-7-8-13(14(22)9-12)11-5-3-2-4-6-11)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h2-10,15-18,21,23-25H,1H3,(H,26,27)/t10?,15-,16-,17+,18-,21-/m0/s1/i2D,3D,4D,5D,6D,7D,8D,9D
InChI Key	PLPQBSOCUVSKTP-PYMLCFBPSA-N
Purity	≥95%; 95% atom D
Solubility	Soluble in DMSO, Methanol, Water
Appearance	White amorphous solid
Storage	Store at -20 °C