Products 1616259-44-9

CAS 1616259-44-9 is the registry number for Dapagliflozin Impurity 115. Offered by: Chemat Brand. Available pack sizes: on request.

Dapagliflozin Impurity 115
Chemat Brand
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[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate (CAS 1616259-44-9) is a chemical compound with the molecular formula C23H27ClO7 and a molecular weight of 450.9 g/mol. IUPAC name: [(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate. InChIKey: UFLOXMDRCZLMBO-FWKCKQQBSA-N.

Identity
Molecular formulaC23H27ClO7
Molecular weight450.9 g/mol
IUPAC name[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
InChIKeyUFLOXMDRCZLMBO-FWKCKQQBSA-N
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC(=O)C)O)O)Cl

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(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,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
(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
[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate 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
[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate 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