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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, m-methoxybenzoate
RN: 22954-19-4
InChIKey: GWQUZVAKPOUIRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Br2-N-O3

Molecular Weight

  • 457.16
 
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Names and Synonyms

Synonyms

  • Benzoic acid, m-methoxy-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3068968
  • p-(Bis(2-bromoethyl)amino)phenol m-methoxybenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl m-methoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22954-19-4

System Generated Number

  • 0022954194

Structure Descriptors

InChI

1S/C18H19Br2NO3/c1-23-17-4-2-3-14(13-17)18(22)24-16-7-5-15(6-8-16)21(11-9-19)12-10-20/h2-8,13H,9-12H2,1H3

InChIKey

GWQUZVAKPOUIRG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3800ug/kg (3.8mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 2500ug/kg (2.5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.