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Technology Process of (E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid

(E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid

Base Information
  • Chemical Name:(E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid
  • CAS No.:142808-46-6
  • Molecular Formula:C29H38N6O7
  • Molecular Weight:582.648
  • Hs Code.:
(E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid

Synonyms:ER 001533;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

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Chemical Property of (E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid
Chemical Property:
  • Vapor Pressure:4.81E-29mmHg at 25°C 
  • Boiling Point:828°C at 760 mmHg 
  • Flash Point:454.5°C 
  • PSA：189.10000 
  • LogP:3.71608 
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:16
  • Exact Mass:582.28019757
  • Heavy Atom Count:42
  • Complexity:801
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN=C(NC#N)NC1=CC=C(C=C1)C=CCC(=O)NCCCN(C)CCC2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O
  • Isomeric SMILES:CN=C(NC#N)NC1=CC=C(C=C1)/C=C/CC(=O)NCCCN(C)CCC2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O
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