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Substance Name: E 5842
RN: 220120-14-9
InChIKey: LTBKOSQVBVYJKW-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-F-N4.C6-H8-O7

Molecular Weight

  • 492.5011
 
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Names and Synonyms

Name of Substance

  • E 5842

Synonyms

  • 4-(4-Fluorophenil)-1,2,3,4-tetrahydro-1-(4-(1,2,4-triazol-1-il)butyl)pyridine citrate
  • E-5842
  • E5842

Systematic Name

  • Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-(4-(1H-1,2,4-triazol-1-yl)butyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 220120-14-9

System Generated Number

  • 0220120149

Molecular Formulas

Molecular Formula

  • C17-H21-F-N4.C6-H8-O7

Molecular Formula Fragments

  • C17-H21-F-N4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21FN4.C6H8O7/c18-17-5-3-15(4-6-17)16-7-11-21(12-8-16)9-1-2-10-22-14-19-13-20-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,13-14H,1-2,8-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LTBKOSQVBVYJKW-UHFFFAOYSA-N

Smiles

OC(=O)CC(O)(CC(=O)O)C(=O)O.Fc1ccc(cc1)C2=CCN(CCCCn3cncn3)CC2