Products 164669-89-0

CAS 164669-89-0 is the registry number for Ibufenac Acyl-Beta-D-Glucuronide, >95% (HPLC). Offered by: TRC. Available pack sizes: 10mg, 1mg.

Ibufenac Acyl-Beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]acetyl]oxyoxane-2-carboxylic acid (CAS 164669-89-0) is a chemical compound with the molecular formula C18H24O8 and a molecular weight of 368.4 g/mol. IUPAC name: (3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]acetyl]oxyoxane-2-carboxylic acid. InChIKey: USRHMLCTGMMMCQ-ZOWQXGHRSA-N.

Identity
Molecular formulaC18H24O8
Molecular weight368.4 g/mol
IUPAC name(3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]acetyl]oxyoxane-2-carboxylic acid
InChIKeyUSRHMLCTGMMMCQ-ZOWQXGHRSA-N
SMILESCC(C)CC1=CC=C(C=C1)CC(=O)O[C@@H]2[C@@H]([C@H]([C@@H](C(O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Ibufenac Acyl-b-D-Glucuronide, ss-D-Glucopyranuronic acid 1-[4-(2-methylpropyl)benzeneacetate]
Isomers (same molecular formula)
[(2S,3S,4S,5R)-3-acetyloxy-5-hydroxy-2-methoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate C18H24O8
3-(3-methylbut-2-enyl)-4-[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid C18H24O8
3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione C18H24O8