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Substance Name: Hydrocinnamamide, alpha-(benzoylamino)-N-butyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, oxalate, (+-)-
RN: 57227-57-3
InChIKey: IRJHSXLYOQGNJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H40-N4-O3.C2-H2-O4

Molecular Weight

  • 570.683
 
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Names and Synonyms

Synonyms

  • CR 702
  • O-(3-(N''-Methylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-n-butylamide oxalate

Systematic Name

  • Hydrocinnamamide, alpha-(benzoylamino)-N-butyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, oxalate, (+-)-

Registry Numbers

CAS Registry Number

  • 57227-57-3

System Generated Number

  • 0057227573

Molecular Formulas

Molecular Formula

  • C28-H40-N4-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C28-H40-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H40N4O3.C2H2O4/c1-3-4-15-29-28(34)26(30-27(33)24-9-6-5-7-10-24)22-23-11-13-25(14-12-23)35-21-8-16-32-19-17-31(2)18-20-32;3-1(4)2(5)6/h5-7,9-14,26H,3-4,8,15-22H2,1-2H3,(H,29,34)(H,30,33);(H,3,4)(H,5,6)

InChIKey

IRJHSXLYOQGNJZ-UHFFFAOYSA-N

Smiles

C([C@@H](NC(c1ccccc1)=O)C(NCCCC)=O)c1ccc(OCCCN2CCN(C)CC2)cc1.C(C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 81400ug/kg (81.4mg/kg)   United States Patent Document. Vol. #4004008,