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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, m-methylbenzoate
RN: 22954-15-0
InChIKey: GWEJBHPUPOEHFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Br2-N-O2

Molecular Weight

  • 441.161
 
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Names and Synonyms

Synonyms

  • Benzoic acid, m-methyl-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3066988
  • p-(Bis(2-bromoethyl)amino)phenyl m-methylbenzoate

Systematic Name

  • Phenol, p-(bis(2-bromoethyl)amino)-, m-methylbenzoate

Registry Numbers

CAS Registry Number

  • 22954-15-0

System Generated Number

  • 0022954150

Structure Descriptors

InChI

1S/C18H19Br2NO2/c1-14-3-2-4-15(13-14)18(22)23-17-7-5-16(6-8-17)21(11-9-19)12-10-20/h2-8,13H,9-12H2,1H3

InChIKey

GWEJBHPUPOEHFW-UHFFFAOYSA-N

Smiles

C(c1cc(C)ccc1)(Oc1ccc(cc1)N(CCBr)CCBr)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2700ug/kg (2.7mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.