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Molecule record

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H25ClO6

408.88 g/mol

Loading structure

Molecular properties

Formula
C21H25ClO6
Molar mass
408.88 g·mol−1
Exact mass
408.1340 Da
9
PubChem CID
9887712

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol
  • (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • 1ULL0QJ8UC
  • 461432-26-8
  • 639-683-0
  • A10BK01
  • BMS-512148
  • BMS512148
Show all 24 synonyms
  • CHEBI:85078
  • CHEMBL429910
  • D-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-, (1S)-
  • DAPAGLIFLOZIN COMPONENT QTERNMET
  • DTXCID101334207
  • DTXSID20905104
  • Dagagflozin
  • Dapagliflozin
  • Dapagliflozina
  • Forxiga
  • LYN-045
  • MFCD13182359
  • QTERNMET XR COMPONENT DAPAGLIFLOZIN
  • RefChem:54930
  • dapagliflozine
  • dapagliflozinum

Structure identifiers

Canonical SMILES
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Isomeric SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl
InChI
InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey
JVHXJTBJCFBINQ-ADAARDCZSA-N
PubChem CID
9887712

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record