Products 2452301-14-1

CAS 2452301-14-1 appears in our catalog under these names: Empagliflozin Impurity 28, Empagliflozin Impurity 12. Offered by: Chemat Brand. Available pack sizes: on request.

Empagliflozin Impurity 28
Chemat Brand
  • size: on request
  • Variants: 1
View product
Empagliflozin Impurity 12
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroperoxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 2452301-14-1) is a chemical compound with the molecular formula C23H27ClO9 and a molecular weight of 482.9 g/mol. IUPAC name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroperoxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: UWOLJIKZWOYYIZ-XOJZMLRGSA-N.

Identity
Molecular formulaC23H27ClO9
Molecular weight482.9 g/mol
IUPAC name(2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroperoxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyUWOLJIKZWOYYIZ-XOJZMLRGSA-N
SMILESC1COC[C@H]1OC2=CC=C(C=C2)C(C3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl)OO

Computed by PubChem (NCBI)

Synonyms: Empagliflozin Impurity POE, Empagliflozin Impurity N32, 2-hydroxy-18-(methylthio)butanamide, Empagliflozin Impurity POE (hydroperoxy impurity)
Isomers (same molecular formula)
(3S)-3-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenoxy]-4-hydroxybutanoic acid C23H27ClO9