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Substance Name: Dapagliflozin propanediol anhydrous
RN: 1971128-01-4
UNII: 4AKF24FA4C
InChIKey: VYOCLVRXZCRBML-XMODHJQGSA-N

Molecular Formula

  • C21-H25-Cl-O6.C3-H8-O2

Molecular Weight

  • 484.9697
 
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Names and Synonyms

Name of Substance

  • Dapagliflozin propanediol anhydrous

Synonyms

  • (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro- 2H-pyran-3,4,5-triol, (2S)-propane-1,2-diol (1:1)
  • D-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-, (1S)-, compd. with (2S)-1,2-propanediol (1:1)
  • Dapagliflozin propanediol anhydrous
  • Dapagliflozin S-propylene glycol
  • UNII-4AKF24FA4C

Registry Numbers

CAS Registry Number

  • 1971128-01-4

FDA UNII

  • 4AKF24FA4C

System Generated Number

  • 1971128014

Structure Descriptors

InChI

1S/C21H25ClO6.C3H8O2/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;1-3(5)2-4/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3/t17-,18-,19+,20-,21+;3-/m10/s1

InChIKey

VYOCLVRXZCRBML-XMODHJQGSA-N

Smiles

CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1.C[C@H](O)CO