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Substance Name: 1H-Imidazole-5-carboxamide, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-1-butyl-2-propyl-
RN: 61982-10-3
InChIKey: CWTTYJZQNYSWCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-Cl2-N5-O3-S

Molecular Weight

  • 504.4799
 
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Names and Synonyms

Synonyms

  • 5-25-16-00472 (Beilstein Handbook Reference)
  • BRN 0946832

Systematic Name

  • 1H-Imidazole-5-carboxamide, 4-(((4-(bis(2-chloroethyl)amino)phenyl)sulfonyl)amino)-1-butyl-2-propyl-

Registry Numbers

CAS Registry Number

  • 61982-10-3

System Generated Number

  • 0061982103

Structure Descriptors

InChI

1S/C21H31Cl2N5O3S/c1-3-5-13-28-18(6-4-2)25-21(19(28)20(24)29)26-32(30,31)17-9-7-16(8-10-17)27(14-11-22)15-12-23/h7-10,26H,3-6,11-15H2,1-2H3,(H2,24,29)

InChIKey

CWTTYJZQNYSWCB-UHFFFAOYSA-N

Smiles

CCCCn1c(nc(c1C(=O)N)NS(=O)(=O)c2ccc(cc2)N(CCCl)CCCl)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1180, 1976.