Empagliflozin Impurity 66

cas: 1620758-30-6 — see every product listed under this CAS number, including other names

Empagliflozin Impurity 66 (CAS 1620758-30-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E131666
cas1620758-30-6
sizeon request
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Structural formula: {0} (CAS {1})

(2R,3S,4R,5R)-1-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2,3,4,5,6-pentahydroxyhexan-1-one (CAS 1620758-30-6) is a chemical compound with the molecular formula C23H27ClO8 and a molecular weight of 466.9 g/mol. IUPAC name: (2R,3S,4R,5R)-1-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2,3,4,5,6-pentahydroxyhexan-1-one. InChIKey: PETNMMKAOZUZJJ-NFLPSVOQSA-N.

Identity
Molecular formulaC23H27ClO8
Molecular weight466.9 g/mol
IUPAC name(2R,3S,4R,5R)-1-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2,3,4,5,6-pentahydroxyhexan-1-one
InChIKeyPETNMMKAOZUZJJ-NFLPSVOQSA-N
SMILESC1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)Cl

Computed by PubChem (NCBI)

Synonyms: Empagliflozin Impurity 66
Isomers (same molecular formula)
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO8
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol C23H27ClO8