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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate
RN: 21667-00-5
InChIKey: KRRMOOMFGMSJHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl2-N-O2

Molecular Weight

  • 352.259
 
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Names and Synonyms

Synonyms

  • Benzoic acid, o-methyl-, p-(bis(2-chloroethyl)amino)phenyl ester
  • BRN 2766110
  • p-(Bis(2-chloroethyl)amino)phenol o-methylbenzoate

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate

Registry Numbers

CAS Registry Number

  • 21667-00-5

System Generated Number

  • 0021667005

Structure Descriptors

InChI

1S/C18H19Cl2NO2/c1-14-4-2-3-5-17(14)18(22)23-16-8-6-15(7-9-16)21(12-10-19)13-11-20/h2-9H,10-13H2,1H3

InChIKey

KRRMOOMFGMSJHJ-UHFFFAOYSA-N

Smiles

C(c1c(C)cccc1)(Oc1ccc(cc1)N(CCCl)CCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 36mg/kg (36mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 68mg/kg (68mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.