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Substance Name: Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester
RN: 102395-62-0
InChIKey: GYNZWXDJSTWDBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O3

Molecular Weight

  • 367.447
 
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Names and Synonyms

Synonyms

  • 1-((p-Aminophenyl)carbamoyl)-4-phenyl-isonipecotic acid ethyl ester
  • 4-22-00-01033 (Beilstein Handbook Reference)
  • BRN 0353877

Systematic Name

  • Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 102395-62-0

System Generated Number

  • 0102395620

Structure Descriptors

InChI

1S/C21H25N3O3/c1-2-27-19(25)21(16-6-4-3-5-7-16)12-14-24(15-13-21)20(26)23-18-10-8-17(22)9-11-18/h3-11H,2,12-15,22H2,1H3,(H,23,26)

InChIKey

GYNZWXDJSTWDBD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 777, 1958.