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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, m-fluorobenzoate
RN: 22953-55-5
InChIKey: WNHQFWFQAJPQMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Cl2-F-N-O2

Molecular Weight

  • 356.222
 
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Names and Synonyms

Synonyms

  • Benzoic acid, m-fluoro-, p-(bis(2-chloroethyl)amino)phenyl ester
  • BRN 2767666
  • p-(Bis(2-chloroethyl)amino)phenol m-fluorobenzoate
  • p-(Bis(2-chloroethyl)amino)phenyl m-fluorobenzoate

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, m-fluorobenzoate

Registry Numbers

CAS Registry Number

  • 22953-55-5

System Generated Number

  • 0022953555

Structure Descriptors

InChI

1S/C17H16Cl2FNO2/c18-8-10-21(11-9-19)15-4-6-16(7-5-15)23-17(22)13-2-1-3-14(20)12-13/h1-7,12H,8-11H2

InChIKey

WNHQFWFQAJPQMC-UHFFFAOYSA-N

Smiles

C(c1cc(F)ccc1)(Oc1ccc(cc1)N(CCCl)CCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10500ug/kg (10.5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.
rat LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.