Products 1500090-85-6

CAS 1500090-85-6 appears in our catalog under these names: Ertugliflozin Impuity 2, Ertugliflozin Impurity 3, Ertugliflozin-3-O-beta-glucuronide, Ertugliflozin 3-O-β-D-glucuronide. Offered by: Chemat Brand, Hubei YoungXin, TRC, Chemat. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 2mg.

Ertugliflozin Impuity 2
Chemat Brand
  • size: on request
  • Variants: 1
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Ertugliflozin Impurity 3
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Ertugliflozin-3-O-beta-glucuronide
TRC
  • size: 25mg
  • Variants: 1
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Ertugliflozin 3-O-β-D-glucuronide
Chemat
  • size: 10mg, 1mg, 2mg, 5mg
  • Variants: 4
from 2669.84
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 1500090-85-6) is a chemical compound with the molecular formula C28H33ClO13 and a molecular weight of 613.0 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: NCWJAFYOAQFTQX-GCGVPRHFSA-N.

Identity
Molecular formulaC28H33ClO13
Molecular weight613.0 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyNCWJAFYOAQFTQX-GCGVPRHFSA-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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)Cl

Computed by PubChem (NCBI)

Synonyms: Ertugliflozin metabolite M5c, Ertugliflozin-3-o-glucuronide, Ertugliflozin-3-o-beta-glucuronide, Ertugliflozin-3-O-?-glucuronide, Ertugliflozin Impurity 7, C28H33ClO13