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Substance Name: Malonamic acid, 2-ethyl-2-phenyl-N-(3-(1-pyrrolidinyl)propyl)-, ethyl ester
RN: 94754-58-2
InChIKey: BUHJJXPGTOKBQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O3

Molecular Weight

  • 346.468
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-2-phenyl-N-(3-(1-pyrrolidinyl)propyl)malonamic acid ethyl ester
  • 5-20-01-00417 (Beilstein Handbook Reference)
  • BR 89
  • BRN 1354285

Systematic Name

  • Malonamic acid, 2-ethyl-2-phenyl-N-(3-(1-pyrrolidinyl)propyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 94754-58-2

System Generated Number

  • 0094754582

Structure Descriptors

InChI

1S/C20H30N2O3/c1-3-20(19(24)25-4-2,17-11-6-5-7-12-17)18(23)21-13-10-16-22-14-8-9-15-22/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3,(H,21,23)

InChIKey

BUHJJXPGTOKBQA-UHFFFAOYSA-N

Smiles

c1([C@@](C(NCCCN2CCCC2)=O)(C(OCC)=O)CC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 269, 1964.
mouse LD50 intravenous 35mg/kg (35mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 269, 1964.