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Substance Name: Hydrocinnamamide, alpha-((p-chlorobenzoyl)amino)-N,N-dipropyl-4-(2-(diisopropylamino)-ethoxy)-, oxalate, (+-)-
RN: 57227-99-3
InChIKey: NODWBHHPXVALFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-Cl-N3-O3.C2-H2-O4

Molecular Weight

  • 620.182
 
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Names and Synonyms

Synonyms

  • CR 727
  • O-(2'-Diisopropylaminoethyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-di-n-propylamide oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57227-99-3

System Generated Number

  • 0057227993

Molecular Formulas

Molecular Formula

  • C30-H44-Cl-N3-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C30-H44-Cl-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H44ClN3O3.C2H2O4/c1-7-17-33(18-8-2)30(36)28(32-29(35)25-11-13-26(31)14-12-25)21-24-9-15-27(16-10-24)37-20-19-34(22(3)4)23(5)6;3-1(4)2(5)6/h9-16,22-23,28H,7-8,17-21H2,1-6H3,(H,32,35);(H,3,4)(H,5,6)

InChIKey

NODWBHHPXVALFV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 26300ug/kg (26.3mg/kg)   United States Patent Document. Vol. #4004008,