Products 2749293-95-4

CAS 2749293-95-4 appears in our catalog under these names: Empagliflozin–d4, Empagliflozin-d4, 98.40%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5 mg, 1 mg, 500 μg.

Empagliflozin–d4
GLPBio
  • size: 1mg
  • Variants: 1
from 1888.86
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Empagliflozin-d4, 98.40%
MedChemExpress
  • size: 5 mg, 1 mg, 500 μg
  • Variants: 3
from 1174.19
View product
Structural formula: {0} (CAS {1})

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[2,3,5,6-tetradeuterio-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 2749293-95-4) is a chemical compound with the molecular formula C23H27ClO7 and a molecular weight of 454.9 g/mol. IUPAC name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[2,3,5,6-tetradeuterio-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: OBWASQILIWPZMG-CPTKLOLCSA-N.

Identity
Molecular formulaC23H27ClO7
Molecular weight454.9 g/mol
IUPAC name(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[2,3,5,6-tetradeuterio-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyOBWASQILIWPZMG-CPTKLOLCSA-N
SMILES[2H]C1=C(C(=C(C(=C1CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)[2H])[2H])O[C@H]4CCOC4)[2H]

Computed by PubChem (NCBI)

Synonyms: Empagliflozin-d4, (S)-Empagliflozin D4, orb2281080, orb2299875, 864070-44-0 (Unlabelled)
Related forms of this compound
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
(2R,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
(2S,3S,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
(2R,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
(3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H27ClO7
Isomers (same molecular formula)
[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate C23H27ClO7
(2R,3R,4R,5R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol C23H27ClO7
(2S,3R,4R,5R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol C23H27ClO7
[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate C23H27ClO7
[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate C23H27ClO7