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Substance Name: 1H-Imidazole-5-carboxamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-1-butyl-4-nitro-2-propyl-
RN: 61982-04-5
InChIKey: MRKNWPVJURUVGD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-Cl2-N5-O3

Molecular Weight

  • 470.3981
 
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Names and Synonyms

Synonyms

  • BRN 0865989
  • N-(4-(Bis(2-chloroethyl)amino)phenyl)-1-butyl-4-nitro-2-propyl-1H-imidazole-5-carboxamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61982-04-5

System Generated Number

  • 0061982045

Structure Descriptors

InChI

1S/C21H29Cl2N5O3/c1-3-5-13-27-18(6-4-2)25-20(28(30)31)19(27)21(29)24-16-7-9-17(10-8-16)26(14-11-22)15-12-23/h7-10H,3-6,11-15H2,1-2H3,(H,24,29)

InChIKey

MRKNWPVJURUVGD-UHFFFAOYSA-N

Smiles

CCCCn1c(nc(c1C(=O)Nc2ccc(cc2)N(CCCl)CCCl)[N+](=O)[O-])CCC

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.