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Substance Name: 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester
RN: 71079-36-2
InChIKey: DDHDZFXNZNOIKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N5-O2-S

Molecular Weight

  • 411.5275
 
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Names and Synonyms

Synonyms

  • 4-Thiazolecarboxylic acid, 2-(3-tert-butyl-2-(2-methyl-4-quinolyl)guanidino)-, ethyl ester
  • BRN 5644219

Systematic Name

  • 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 71079-36-2

System Generated Number

  • 0071079362

Structure Descriptors

InChI

1S/C21H25N5O2S/c1-6-28-18(27)17-12-29-20(24-17)25-19(26-21(3,4)5)23-16-11-13(2)22-15-10-8-7-9-14(15)16/h7-12H,6H2,1-5H3,(H2,22,23,24,25,26)

InChIKey

DDHDZFXNZNOIKB-UHFFFAOYSA-N

Smiles

CCOC(=O)c1csc(n1)/N=C(/Nc2cc(nc3c2cccc3)C)\NC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.