Ertugliflozin Impurity 4

cas: 1528739-05-0 — see every product listed under this CAS number, including other names

Ertugliflozin Impurity 4 (CAS 1528739-05-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E900004
cas1528739-05-0
sizeon request
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Structural formula: {0} (CAS {1})

(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-hydroxymethyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde (CAS 1528739-05-0) is a chemical compound with the molecular formula C44H50Cl2O14 and a molecular weight of 873.8 g/mol. IUPAC name: (3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-hydroxymethyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde. InChIKey: IZXODWWEKGYWBW-CYFXULJASA-N.

Identity
Molecular formulaC44H50Cl2O14
Molecular weight873.8 g/mol
IUPAC name(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-hydroxymethyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde
InChIKeyIZXODWWEKGYWBW-CYFXULJASA-N
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H](C(O3)C(C4([C@H]([C@@H]([C@H]([C@@](O4)(C5=CC(=C(C=C5)Cl)CC6=CC=C(C=C6)OCC)OC)O)O)O)C=O)O)O)O)O)OC)Cl

Computed by PubChem (NCBI)

Synonyms: rtugliflozin impurity 7

Also listed as

L-threo-L-ido-undeodialdo-1,5:11,7-dipyranoside,1,11-Dimethyl 1,11-bis-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-7-C-formyl-,(5E,6E,7E,11S) TRC CAS 1528739-05-0