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Substance Name: Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-
RN: 57228-15-6
InChIKey: WBRXRUGEXIERBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H47-Cl-N4-O3.C6-H8-O7

Molecular Weight

  • 763.323
 
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Names and Synonyms

Synonyms

  • CR 731
  • O-(3-(N''-Methylpiperazine)-N'-propyl)-N-(o-chlorobenzoyl)-DL-tyrosyl-di-n-butylamide citrate

Systematic Name

  • Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-

Registry Numbers

CAS Registry Number

  • 57228-15-6

System Generated Number

  • 0057228156

Molecular Formulas

Molecular Formula

  • C32-H47-Cl-N4-O3.C6-H8-O7

Molecular Formula Fragments

  • C32-H47-Cl-N4-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C32H47ClN4O3.C6H8O7/c1-4-6-18-37(19-7-5-2)32(39)30(34-31(38)28-11-8-9-12-29(28)33)25-26-13-15-27(16-14-26)40-24-10-17-36-22-20-35(3)21-23-36;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,11-16,30H,4-7,10,17-25H2,1-3H3,(H,34,38);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

WBRXRUGEXIERBE-UHFFFAOYSA-N

Smiles

C([C@@H](C(N(CCCC)CCCC)=O)NC(c1c(cccc1)Cl)=O)c1ccc(cc1)OCCCN1CCN(C)CC1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 61mg/kg (61mg/kg)   United States Patent Document. Vol. #4004008,