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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, benzoate
RN: 1233-89-2
InChIKey: DCKXNKRUGUYEPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Cl2-N-O2

Molecular Weight

  • 338.232
 
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Names and Synonyms

Synonyms

  • 4-13-00-01047 (Beilstein Handbook Reference)
  • Benzoic acid, p-(bis(2-chloroethyl)amino)phenyl ester
  • BRN 2757533
  • p-(Bis(2-chloroethyl)amino)phenol benzoate
  • p-(Bis(2-chloroethyl)amino)phenyl benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1233-89-2

System Generated Number

  • 0001233892

Structure Descriptors

InChI

1S/C17H17Cl2NO2/c18-10-12-20(13-11-19)15-6-8-16(9-7-15)22-17(21)14-4-2-1-3-5-14/h1-9H,10-13H2

InChIKey

DCKXNKRUGUYEPS-UHFFFAOYSA-N

Smiles

C(Oc1ccc(cc1)N(CCCl)CCCl)(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18500ug/kg (18.5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.