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Substance Name: p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-
RN: 19768-74-2
InChIKey: DEOICCGWRFAQNC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-Cl2-N-O

Molecular Weight

  • 260.163
 
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Names and Synonyms

Synonyms

  • 3-(Bis(2-chloroethyl)amino)-4-methylbenzaldehyde
  • 3-(Bis(2-chloroethyl)amino)-p-tolualdehyde
  • BRN 3095493

Systematic Name

  • p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 19768-74-2

System Generated Number

  • 0019768742

Structure Descriptors

InChI

1S/C12H15Cl2NO/c1-10-2-3-11(9-16)8-12(10)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3

InChIKey

DEOICCGWRFAQNC-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)c(ccc(c1)C=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 161, 1969.
rat LD50 unreported 20mg/kg (20mg/kg)   Neoplasma. Vol. 27, Pg. 271, 1980.