Dapagliflozin

CAS Registry Number®

461432-26-8

CAS Name

Dapagliflozin

Molecular Formula

C21H25ClO6

Molecular Mass

408.87

Cite this Page

Dapagliflozin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=461432-26-8 (retrieved 2024-11-21) (CAS RN: 461432-26-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=JVHXJTBJCFBINQ-ADAARDCZSA-N

SMILES

O[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2

Canonical SMILES

ClC1=CC=C(C=C1CC2=CC=C(OCC)C=C2)C3OC(CO)C(O)C(O)C3O

Other Names for this Substance

  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-
  • (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol
  • Dapagliflozin
  • BMS 512148
  • (2S,3R,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

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Deleted or Replaced CAS Registry Numbers

2195352-53-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration