Products 58446-29-0

CAS 58446-29-0 appears in our catalog under these names: Diflunisal 1-O-beta-D-Glucuronide, Diflunisal Phenolic Glucuronide Lithium Salt. Offered by: TRC, Chemat Brand. Available pack sizes: 100mg, on request.

Diflunisal 1-O-beta-D-Glucuronide
TRC
  • size: 100mg
  • Variants: 1
View product
Diflunisal Phenolic Glucuronide Lithium Salt
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 58446-29-0) is a chemical compound with the molecular formula C19H16F2O9 and a molecular weight of 426.3 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: RBZXVQOCMCPTHC-KSPMYQCISA-N.

Identity
Molecular formulaC19H16F2O9
Molecular weight426.3 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyRBZXVQOCMCPTHC-KSPMYQCISA-N
SMILESC1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Diflunisal glucuronide ether, Diflunisal phenolic glucuronide, 3-Carboxy-2',4'-difluoro[1,1'-biphenyl]-4-yl beta-D-glucopyranosiduronic acid, Diflunisal 1-O-?-D-Glucuronide, beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro(1,1'-biphenyl)-4-yl, beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro[1,1'-biphenyl]-4-yl, Diflunisal 1-O-beta-D-glucuronate
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C19H16F2O9