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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, p-bromobenzoate
RN: 22953-53-3
InChIKey: VSZDJZWCVDOADP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Br-Cl2-N-O2

Molecular Weight

  • 417.128
 
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Names and Synonyms

Synonyms

  • Benzoic acid, p-bromo-, p-(bis(2-chloroethyl)amino)phenyl ester
  • BRN 2767685
  • p-(Bis(2-chloroethyl)amino)phenol p-bromobenzoate
  • p-(Bis(2-chloroethyl)amino)phenyl p-bromobenzoate

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, p-bromobenzoate

Registry Numbers

CAS Registry Number

  • 22953-53-3

System Generated Number

  • 0022953533

Structure Descriptors

InChI

1S/C17H16BrCl2NO2/c18-14-3-1-13(2-4-14)17(22)23-16-7-5-15(6-8-16)21(11-9-19)12-10-20/h1-8H,9-12H2

InChIKey

VSZDJZWCVDOADP-UHFFFAOYSA-N

Smiles

C(Oc1ccc(cc1)N(CCCl)CCCl)(c1ccc(cc1)Br)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.