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Substance Name: 2-Propenoic acid, 2-(((4-methylphenyl)amino)carbonyl)-3-(4-pyridinylamino)-, ethyl ester, (E)-
RN: 172753-09-2
InChIKey: XZFCQLUYDJCJDR-FOWTUZBSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N3-O3

Molecular Weight

  • 325.3661
 
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Names and Synonyms

Synonym

  • Ethyl (E)-2-(((4-methylphenyl)amino)carbonyl)-3-(4-pyridinylamino)-2-propenoate

Systematic Name

  • 2-Propenoic acid, 2-(((4-methylphenyl)amino)carbonyl)-3-(4-pyridinylamino)-, ethyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 172753-09-2

System Generated Number

  • 0172753092

Structure Descriptors

InChI

1S/C18H19N3O3/c1-3-24-18(23)16(12-20-14-8-10-19-11-9-14)17(22)21-15-6-4-13(2)5-7-15/h4-12H,3H2,1-2H3,(H,19,20)(H,21,22)/b16-12+

InChIKey

XZFCQLUYDJCJDR-FOWTUZBSSA-N

Smiles

CCOC(=O)/C(=C/Nc1ccncc1)/C(=O)Nc2ccc(cc2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 339, 1995.