Ertugliflozin Impurity 5

cas: 1298086-28-8 — see every product listed under this CAS number, including other names

Ertugliflozin Impurity 5 (CAS 1298086-28-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE090009
cas1298086-28-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Structural formula: {0} (CAS {1})

(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)-hydroxymethyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (CAS 1298086-28-8) is a chemical compound with the molecular formula C22H25ClO8 and a molecular weight of 452.9 g/mol. IUPAC name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)-hydroxymethyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol. InChIKey: XLJINMDXOSTAIJ-BHPIROGQSA-N.

Identity
Molecular formulaC22H25ClO8
Molecular weight452.9 g/mol
IUPAC name(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)-hydroxymethyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
InChIKeyXLJINMDXOSTAIJ-BHPIROGQSA-N
SMILESCCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)Cl)O

Computed by PubChem (NCBI)

Synonyms: Ertugliflozin Impurity 9, XLJINMDXOSTAIJ-BHPIROGQSA-N
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid C22H25ClO8
(2S,3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid C22H25ClO8

Also listed as

Ertugliflozin Impurity 6 Hubei YoungXin CAS 1298086-28-8