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Substance Name: o-Toluidine, N,N-bis(2-chloroethyl)-5-nitro-
RN: 21447-45-0
InChIKey: ZWPNVVQXUQWXEY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-Cl2-N2-O2

Molecular Weight

  • 277.15
 
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Names and Synonyms

Synonyms

  • 4-12-00-01808 (Beilstein Handbook Reference)
  • Benzenamine, N,N-bis(2-chloroethyl)-2-methyl-5-nitro-
  • BRN 3100261
  • N,N-Bis(2-chloroethyl)-5-nitro-o-toluidine

Systematic Name

  • o-Toluidine, N,N-bis(2-chloroethyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 21447-45-0

System Generated Number

  • 0021447450

Structure Descriptors

InChI

1S/C11H14Cl2N2O2/c1-9-2-3-10(15(16)17)8-11(9)14(6-4-12)7-5-13/h2-3,8H,4-7H2,1H3

InChIKey

ZWPNVVQXUQWXEY-UHFFFAOYSA-N

Smiles

[N+](c1cc(N(CCCl)CCCl)c(cc1)C)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 161, 1969.
rat LD50 unreported 250mg/kg (250mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 2045, 1978.