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Substance Name: 1(2H)-Quinolinecarboxylic acid, 2-methylthio-, ethyl ester
RN: 29680-85-1
InChIKey: SDSIHESJXQVDJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N-O2-S

Molecular Weight

  • 249.333
 
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Names and Synonyms

Synonyms

  • 2-Methylthio-1(2H)-quinolinecarboxylic acid, ethyl ester
  • 5-21-03-00030 (Beilstein Handbook Reference)
  • BRN 4141814

Systematic Name

  • 1(2H)-Quinolinecarboxylic acid, 2-methylthio-, ethyl ester

Registry Numbers

CAS Registry Number

  • 29680-85-1

System Generated Number

  • 0029680851

Structure Descriptors

InChI

1S/C13H15NO2S/c1-3-16-13(15)14-11-7-5-4-6-10(11)8-9-12(14)17-2/h4-9,12H,3H2,1-2H3

InChIKey

SDSIHESJXQVDJI-UHFFFAOYSA-N

Smiles

N1(C(=O)OCC)c2c(cccc2)C=C[C@@H]1SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 49, 1971.