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Substance Name: ER 001533
RN: 142808-46-6
InChIKey: KKSLXEZABBIVFM-GZOLSCHFSA-N

Note

  • A newly synthesized vasorelaxant.

Molecular Weight

  • 582.654
 
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Names and Synonyms

Name of Substance

  • ER 001533

Synonyms

  • ER-001533
  • N-(3-((N'-(2-(3,5-Dimethoxyphenyl)ethyl)-N'-methyl)amino)propyl)-4-(4-(N(3)-methyl-N(2)-cyanoguanidino)phenyl)-3-butenamide oxalate

Systematic Name

  • 3-Butenamide, 4-(4-(((cyanoamino)(methylamino)methylene)amino)phenyl)-N-(3-((2-(3,5-dimethoxyphenyl)ethyl)methylamino)propyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 142808-46-6

System Generated Number

  • 0142808466

Structure Descriptors

InChI

1S/C27H36N6O3.C2H2O4/c1-29-27(31-20-28)32-23-11-9-21(10-12-23)7-5-8-26(34)30-14-6-15-33(2)16-13-22-17-24(35-3)19-25(18-22)36-4;3-1(4)2(5)6/h5,7,9-12,17-19H,6,8,13-16H2,1-4H3,(H,30,34)(H2,29,31,32);(H,3,4)(H,5,6)/b7-5+;

InChIKey

KKSLXEZABBIVFM-GZOLSCHFSA-N

Smiles

C(C\C=C\c1ccc(cc1)\N=C(\NC)NC#N)(=O)NCCC[N@@](CCc1cc(cc(c1)OC)OC)C.C(C(=O)O)(=O)O