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Substance Name: Trichomonacid
RN: 7195-14-4
InChIKey: XWBADQOPXPRKBX-FMIVXFBMSA-N

Molecular Formula

  • C27-H34-N4-O3.3H3-O4-P

Molecular Weight

  • 462.5906
 
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Names and Synonyms

Name of Substance

  • Trichomonacid

Systematic Name

  • 1,4-Pentanediamine, N1,N1-diethyl-N4-(6-methoxy-2-(2-(4-nitrophenyl)ethenyl)-4-quinolinyl)-, phosphate (1:3)

Registry Numbers

CAS Registry Number

  • 7195-14-4

System Generated Number

  • 0007195144

Molecular Formulas

Molecular Formula

  • C27-H34-N4-O3.3H3-O4-P

Molecular Formula Fragments

  • C27-H34-N4-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C27H34N4O3/c1-5-30(6-2)17-7-8-20(3)28-27-18-22(29-26-16-15-24(34-4)19-25(26)27)12-9-21-10-13-23(14-11-21)31(32)33/h9-16,18-20H,5-8,17H2,1-4H3,(H,28,29)/b12-9+

InChIKey

XWBADQOPXPRKBX-FMIVXFBMSA-N

Smiles

CCN(CC)CCCC(C)Nc1cc(nc2c1cc(cc2)OC)/C=C/c3ccc(cc3)[N+](=O)[O-]