Products 1210344-58-3

CAS 1210344-58-3 is the registry number for Ertugliflozin Tetraol. Offered by: TRC. Available pack sizes: 25mg.

Ertugliflozin Tetraol
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1S,2S,3S,4S,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (CAS 1210344-58-3) is a chemical compound with the molecular formula C22H25ClO7 and a molecular weight of 436.9 g/mol. IUPAC name: (1S,2S,3S,4S,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol. InChIKey: MCIACXAZCBVDEE-YFNVTMOMSA-N.

Identity
Molecular formulaC22H25ClO7
Molecular weight436.9 g/mol
IUPAC name(1S,2S,3S,4S,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
InChIKeyMCIACXAZCBVDEE-YFNVTMOMSA-N
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)Cl

Computed by PubChem (NCBI)

Synonyms: Ertugliflozin Tetraol, Ertugliflozin impurity 27, Empagliflozin Impurity 293
Related forms of this compound
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol C22H25ClO7
(1R,2R,3R,4S,5R)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol C22H25ClO7
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol C22H25ClO7
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde C22H25ClO7