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Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate
RN: 22953-45-3
InChIKey: IUUDHOBDQKMUFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H21-Br2-N-O2

Molecular Weight

  • 503.232
 
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Names and Synonyms

Synonyms

  • Benzoic acid, p-phenyl-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3068925
  • p-(Bis(2-bromoethyl)amino)phenol p-phenylbenzoate
  • p-(Bis(2-bromoethyl)amino)phenyl p-phenylbenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22953-45-3

System Generated Number

  • 0022953453

Structure Descriptors

InChI

1S/C23H21Br2NO2/c24-14-16-26(17-15-25)21-10-12-22(13-11-21)28-23(27)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13H,14-17H2

InChIKey

IUUDHOBDQKMUFS-UHFFFAOYSA-N

Smiles

C(Oc1ccc(cc1)N(CCBr)CCBr)(c1ccc(cc1)c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.