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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, m-(alpha,alpha,alpha-trifluoromethyl)benzoate
RN: 22953-41-9
InChIKey: KEUDYNSIGHFSQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Br2-F3-N-O2

Molecular Weight

  • 495.131
 
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Names and Synonyms

Synonyms

  • BRN 3070797
  • p-(Bis(2-bromoethyl)amino)phenol m-(alpha,alpha,alpha-trifluoromethyl)benzoate
  • p-(Bis(2-bromoethyl)amino)phenyl m-(alpha,alpha,alpha-trifluoromethyl)benzoate

Systematic Name

  • Phenol, p-(bis(2-bromoethyl)amino)-, m-(alpha,alpha,alpha-trifluoromethyl)benzoate

Registry Numbers

CAS Registry Number

  • 22953-41-9

System Generated Number

  • 0022953419

Structure Descriptors

InChI

1S/C18H16Br2F3NO2/c19-8-10-24(11-9-20)15-4-6-16(7-5-15)26-17(25)13-2-1-3-14(12-13)18(21,22)23/h1-7,12H,8-11H2

InChIKey

KEUDYNSIGHFSQH-UHFFFAOYSA-N

Smiles

C(c1cc(C(Oc2ccc(cc2)N(CCBr)CCBr)=O)ccc1)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3900ug/kg (3.9mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 3800ug/kg (3.8mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.