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Substance Name: Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester
RN: 96064-47-0
InChIKey: MIDYJGWCFUCIHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N2-O3

Molecular Weight

  • 360.495
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-2-phenyl-N-(3-piperidinopropyl)malonamic acid ethyl ester
  • 5-20-03-00175 (Beilstein Handbook Reference)
  • BR 90
  • BRN 1354625

Systematic Name

  • Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 96064-47-0

System Generated Number

  • 0096064470

Structure Descriptors

InChI

1S/C21H32N2O3/c1-3-21(20(25)26-4-2,18-12-7-5-8-13-18)19(24)22-14-11-17-23-15-9-6-10-16-23/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3,(H,22,24)

InChIKey

MIDYJGWCFUCIHA-UHFFFAOYSA-N

Smiles

c1([C@@](C(NCCCN2CCCCC2)=O)(C(OCC)=O)CC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 269, 1964.
mouse LD50 intravenous 20mg/kg (20mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 269, 1964.