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Substance Name: 2-Quinolineacetic acid, 4-((butylamino)carbonyl)-alpha-cyano-, ethyl ester
RN: 194713-19-4
InChIKey: XDQKGGAWSJWYLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O3

Molecular Weight

  • 339.3929
 
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Names and Synonyms

Synonym

  • Ethyl 4-((butylamino)carbonyl)-alpha-cyano-2-quinolineacetate

Systematic Name

  • 2-Quinolineacetic acid, 4-((butylamino)carbonyl)-alpha-cyano-, ethyl ester

Registry Numbers

CAS Registry Number

  • 194713-19-4

System Generated Number

  • 0194713194

Structure Descriptors

InChI

1S/C19H21N3O3/c1-3-5-10-21-18(23)14-11-17(15(12-20)19(24)25-4-2)22-16-9-7-6-8-13(14)16/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,23)

InChIKey

XDQKGGAWSJWYLH-UHFFFAOYSA-N

Smiles

CCCCNC(=O)c1cc(nc2c1cccc2)C(C#N)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 757, 1996.