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Substance Name: Malonamic acid, 2-ethyl-N-(2-(hexahydro-1(2H)-azocinyl)ethyl)-2-phenyl-, ethyl ester
RN: 100739-57-9
InChIKey: WKFDHVSCSSVMOH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-N2-O3

Molecular Weight

  • 374.522
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-N-(2-(hexahydro-1(2H)-azocinyl)ethyl)-2-phenyl-malonamic acid ethyl ester
  • 5-20-04-00162 (Beilstein Handbook Reference)
  • BR 84
  • BRN 1355202

Systematic Name

  • Malonamic acid, 2-ethyl-N-(2-(hexahydro-1(2H)-azocinyl)ethyl)-2-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100739-57-9

System Generated Number

  • 0100739579

Structure Descriptors

InChI

1S/C22H34N2O3/c1-3-22(21(26)27-4-2,19-13-9-8-10-14-19)20(25)23-15-18-24-16-11-6-5-7-12-17-24/h8-10,13-14H,3-7,11-12,15-18H2,1-2H3,(H,23,25)

InChIKey

WKFDHVSCSSVMOH-UHFFFAOYSA-N

Smiles

c1([C@@](C(NCCN2CCCCCCC2)=O)(C(OCC)=O)CC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 269, 1964.
mouse LD50 intravenous 18mg/kg (18mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 269, 1964.