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Substance Name: Dapagliflozin 3-O-glucuronide
RN: 1351438-75-9
UNII: X42P3B148J
InChIKey: ZYZULHSUKTZGTR-PTNNFGGUSA-N

Molecular Formula

  • C27-H33-Cl-O12

Molecular Weight

  • 584.9987
 
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Names and Synonyms

Name of Substance

  • Dapagliflozin 3-O-glucuronide

Synonyms

  • BMS-801576
  • D-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-3-O-beta-D-glucopyranuronosyl-, (1S)-
  • Dapagliflozin 3-O-glucuronide
  • Dapagliflozin M-15 metabolite
  • UNII-X42P3B148J

Registry Numbers

CAS Registry Number

  • 1351438-75-9

FDA UNII

  • X42P3B148J

System Generated Number

  • 1351438759

Structure Descriptors

InChI

1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-22(34)24(18(30)17(11-29)38-23)39-27-21(33)19(31)20(32)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19+,20+,21-,22+,23+,24+,25+,27-/m1/s1

InChIKey

ZYZULHSUKTZGTR-PTNNFGGUSA-N

Smiles

CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O