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Substance Name: TAK 457
RN: 214543-30-3
InChIKey: HKPPDMRSVIYYKG-FUELLJNYSA-M

Molecular Formula

  • C25-H26-F2-N9-O4.Cl

Molecular Weight

  • 589.9884
 
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Names and Synonyms

Results Name

  • TAK 457

Synonyms

  • 4-Acetoxymethyl-1-((2R,3R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(2-oxo-3-(4-(1H-1-terazolyl)phenyl)-1-imidazolidinyl)butyl)-1H-1,2,4-triazolium chloride
  • TAK-457

Systematic Name

  • 1H-1,2,4-Triazolium, 4-((acetyloxy)methyl)-1-((2R,3R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(2-oxo-3-(4-(1H-tetrazol-1-yl)phenyl)-1- imidazolidinyl)butyl)-, chloride

Registry Numbers

CAS Registry Number

  • 214543-30-3

Other Registry Number

  • 422322-02-9

System Generated Number

  • 0214543303

Molecular Formulas

Molecular Formula

  • C25-H26-F2-N9-O4.Cl

Molecular Formula Fragments

  • C25-H26-F2-N9-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H26F2N9O4.ClH/c1-17(33-9-10-34(24(33)38)20-4-6-21(7-5-20)35-13-28-30-31-35)12-25(39,22-8-3-19(26)11-23(22)27)36-15-32(14-29-36)16-40-18(2)37;/h3-8,11,13-15,17,39H,9-10,12,16H2,1-2H3;1H/q+1;/p-1/t17-,25+;/m1./s1

InChIKey

HKPPDMRSVIYYKG-FUELLJNYSA-M

Smiles

[Cl-].C[C@H](C[C@](O)(c1ccc(F)cc1F)n2c[n+](COC(=O)C)cn2)N3CCN(C3=O)c4ccc(cc4)n5cnnn5