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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate
RN: 22953-52-2
InChIKey: SUZZKNCPUCQBBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br-Cl2-N-O2

Molecular Weight

  • 417.128
 
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Names and Synonyms

Synonyms

  • Benzoic acid, m-bromo-, p-(bis(2-chloroethyl)amino)phenyl ester
  • BRN 2767667
  • p-(Bis(2-chloroethyl)amino)phenol m-bromobenzoate
  • p-(Bis(2-chloroethyl)amino)phenyl m-bromobenzoate

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate

Registry Numbers

CAS Registry Number

  • 22953-52-2

System Generated Number

  • 0022953522

Structure Descriptors

InChI

1S/C17H16BrCl2NO2/c18-14-3-1-2-13(12-14)17(22)23-16-6-4-15(5-7-16)21(10-8-19)11-9-20/h1-7,12H,8-11H2

InChIKey

SUZZKNCPUCQBBP-UHFFFAOYSA-N

Smiles

C(c1cc(Br)ccc1)(Oc1ccc(cc1)N(CCCl)CCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.