Products 2452300-79-5

CAS 2452300-79-5 appears in our catalog under these names: Dapagliflozin Impurity 79, Dapagliflozin Impurity 116, Dapagliflozin Dimer. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg.

Dapagliflozin Impurity 79
Chemat Brand
  • size: on request
  • Variants: 1
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Dapagliflozin Impurity 116
Chemat Brand
  • size: on request
  • Variants: 1
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Dapagliflozin Dimer
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 2452300-79-5) is a chemical compound with the molecular formula C42H48Cl2O12 and a molecular weight of 815.7 g/mol. IUPAC name: (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: JCJKULUVIFDVLR-TZOXASSXSA-N.

Identity
Molecular formulaC42H48Cl2O12
Molecular weight815.7 g/mol
IUPAC name(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyJCJKULUVIFDVLR-TZOXASSXSA-N
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)Cl)CC6=CC=C(C=C6)OCC)O)O)O)Cl

Computed by PubChem (NCBI)

Synonyms: Dapagliflozin Impurity 79
Isomers (same molecular formula)
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[3-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-(4-ethoxyphenyl)methyl]-4-ethoxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C42H48Cl2O12