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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, p-chlorobenzoate
RN: 22954-18-3
InChIKey: AVCQZLIKYAQLME-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br2-Cl-N-O2

Molecular Weight

  • 461.579
 
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Names and Synonyms

Synonyms

  • Benzoic acid, p-chloro-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3067735
  • p-(Bis(2-bromoethyl)amino)phenol p-chlorobenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl p-chlorobenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22954-18-3

System Generated Number

  • 0022954183

Structure Descriptors

InChI

1S/C17H16Br2ClNO2/c18-9-11-21(12-10-19)15-5-7-16(8-6-15)23-17(22)13-1-3-14(20)4-2-13/h1-8H,9-12H2

InChIKey

AVCQZLIKYAQLME-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4mg/kg (4mg/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.