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Substance Name: Hydrocinnamamide, 4-(2-(dimethylamino)ethoxy)-N,N-dipropyl-alpha-((p-nitrobenzoyl)amino)-, oxalate, (+-)-
RN: 57228-24-7
InChIKey: YHASEADFGMOQTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N4-O5.C2-H2-O4

Molecular Weight

  • 574.627
 
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Names and Synonyms

Synonyms

  • (+-)-4-(2-(Dimethylamino)ethoxy)-N,N-dipropyl-alpha-((p-nitrobenzoyl)amino)hydrocinnamamide
  • CR 620
  • O-(2-Dimethylaminoethyl)-N-(p-nitrobenzoyl)-DL-tyrosyl-di-n-propylamide oxalate

Systematic Name

  • Hydrocinnamamide, 4-(2-(dimethylamino)ethoxy)-N,N-dipropyl-alpha-((p-nitrobenzoyl)amino)-, oxalate, (+-)-

Registry Numbers

CAS Registry Number

  • 57228-24-7

System Generated Number

  • 0057228247

Molecular Formulas

Molecular Formula

  • C26-H36-N4-O5.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H36-N4-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36N4O5.C2H2O4/c1-5-15-29(16-6-2)26(32)24(27-25(31)21-9-11-22(12-10-21)30(33)34)19-20-7-13-23(14-8-20)35-18-17-28(3)4;3-1(4)2(5)6/h7-14,24H,5-6,15-19H2,1-4H3,(H,27,31);(H,3,4)(H,5,6)

InChIKey

YHASEADFGMOQTE-UHFFFAOYSA-N

Smiles

C([C@@H](C(N(CCC)CCC)=O)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCCN(C)C)cc1.C(C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 117mg/kg (117mg/kg)   United States Patent Document. Vol. #4004008,