Product Code

TRC-D447375

CAS Number

58446-30-3

Product Format

Neat

Molecular Formula

C19H16F2O9

Molecular Weight

426.32

Product Categories

TRC

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Diflunisal Acyl-beta-D-glucuronide

CAS Number

58446-30-3

Molecular Formula

C19H16F2O9

Molecular Weight

426.32

Accurate Mass

426.08

SMILES

O[C@@H]1[C@H](O[C@H]([C@@H](C1O)O)OC(C2=C(C=CC(C3=C(C=C(C=C3)F)F)=C2)O)=O)C(O)=O

InChI

InChI=1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(22)10(5-7)18(28)30-19-15(25)13(23)14(24)16(29-19)17(26)27/h1-6,13-16,19,22-25H,(H,26,27)/t13?,14-,15+,16-,19-/m0/s1

IUPAC

(2S,3S,5R,6S)-6-((2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carbonyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Diflunisal Acyl-beta-D-glucuronide

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