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Substance Name: Isonipecotic acid, 4-phenyl-1-p-tolylcarbamoyl-, ethyl ester
RN: 102395-71-1
InChIKey: BHCFALRDIZKTII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O3

Molecular Weight

  • 366.458
 
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Names and Synonyms

Synonyms

  • 4-22-00-01033 (Beilstein Handbook Reference)
  • 4-Phenyl-1-p-tolylcarbamoylisonipecotic acid ethyl ester
  • BRN 0347984

Systematic Name

  • Isonipecotic acid, 4-phenyl-1-p-tolylcarbamoyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 102395-71-1

System Generated Number

  • 0102395711

Structure Descriptors

InChI

1S/C22H26N2O3/c1-3-27-20(25)22(18-7-5-4-6-8-18)13-15-24(16-14-22)21(26)23-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3,(H,23,26)

InChIKey

BHCFALRDIZKTII-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(C(Nc2ccc(C)cc2)=O)CC1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 777, 1958.