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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)
RN: 1448-93-7
InChIKey: VULHMSUXUOLBEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-Cl2-N-O2

Molecular Weight

  • 276.161
 
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Names and Synonyms

Synonyms

  • BRN 2655976
  • p-N,N-Bis(2-chloroethyl)aminophenol acetate ester

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 1448-93-7

System Generated Number

  • 0001448937

Structure Descriptors

InChI

1S/C12H15Cl2NO2/c1-10(16)17-12-4-2-11(3-5-12)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3

InChIKey

VULHMSUXUOLBEV-UHFFFAOYSA-N

Smiles

c1cc(ccc1OC(C)=O)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14mg/kg (14mg/kg) GASTROINTESTINAL: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Journal of Pharmaceutical Sciences. Vol. 70, Pg. 46, 1981.
mouse LD50 parenteral 14489ug/kg (14.489mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 772, 1982.