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Substance Name: 1H-Imidazole-5-carboxylic acid, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-2-ethyl-1-propyl-, ethyl ester
RN: 61982-07-8
InChIKey: KDORBBOKYMQOGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-Cl2-N4-O4-S

Molecular Weight

  • 505.464
 
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Names and Synonyms

Synonyms

  • 5-25-16-00466 (Beilstein Handbook Reference)
  • BRN 0726894

Systematic Name

  • 1H-Imidazole-5-carboxylic acid, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-2-ethyl-1-propyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 61982-07-8

System Generated Number

  • 0061982078

Structure Descriptors

InChI

1S/C21H30Cl2N4O4S/c1-4-13-27-18(5-2)24-20(19(27)21(28)31-6-3)25-32(29,30)17-9-7-16(8-10-17)26(14-11-22)15-12-23/h7-10,25H,4-6,11-15H2,1-3H3

InChIKey

KDORBBOKYMQOGK-UHFFFAOYSA-N

Smiles

CCCn1c(nc(c1C(=O)OCC)NS(=O)(=O)c2ccc(cc2)N(CCCl)CCCl)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1180, 1976.