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Substance Name: Denagliptin tosylate [USAN]
RN: 811432-66-3
UNII: T47477CUF7
InChIKey: MSCWUTTUQLYJFT-QMBKNIKNSA-N

Classification Code

  • Treatment of Type 2 Diabetes

Molecular Formula

  • C20-H18-F3-N3-O.C7-H8-O3-S

Molecular Weight

  • 545.5794
 
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Names and Synonyms

Name of Substance

  • Denagliptin tosylate [USAN]

Synonyms

  • (2S,4S)-1-((2S)-2-Amino-3,3-bis(4-fluorophenyl)propanoyl)-4-fluoropyrrolidine-2-carbonitrile 4-methylbenzenesulfonate
  • Denagliptin tosylate
  • GW 823093C
  • GW823093C
  • UNII-T47477CUF7

Systematic Name

  • 2-Pyrrolidinecarbonitrile, 1-((2S)-2-amino-3,3-bis(4-fluorophenyl)-1-oxopropyl)-4-fluoro-, (2S,4S)-, mono(4-methylbenzenesulfonate)

Registry Numbers

CAS Registry Number

  • 811432-66-3

FDA UNII

  • T47477CUF7

System Generated Number

  • 0811432663

Molecular Formulas

Molecular Formula

  • C20-H18-F3-N3-O.C7-H8-O3-S

Molecular Formula Fragments

  • C20-H18-F3-N3-O
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H18F3N3O.C7H8O3S/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,16-19H,9,11,25H2;2-5H,1H3,(H,8,9,10)/t16-,17-,19-;/m0./s1

InChIKey

MSCWUTTUQLYJFT-QMBKNIKNSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.c1cc(ccc1C(c2ccc(cc2)F)[C@@H](C(=O)N3C[C@H](C[C@H]3C#N)F)N)F