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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate
RN: 22954-16-1
InChIKey: HETTWOPRDUZXMX-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, p-methyl-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3066989
  • p-(Bis(2-bromoethyl)amino)phenol p-methylbenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl p-methylbenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22954-16-1

System Generated Number

  • 0022954161

Structure Descriptors

InChI

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

InChIKey

HETTWOPRDUZXMX-UHFFFAOYSA-N

Smiles

C(Oc1ccc(cc1)N(CCBr)CCBr)(c1ccc(cc1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1400ug/kg (1.4mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 2100ug/kg (2.1mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.