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Substance Name: m-Acetotoluidide, 6'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride
RN: 77966-53-1
InChIKey: NEVMRILDXQVADV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C13-H16-Cl-F3-N2-O.Cl-H

Molecular Weight

  • 345.19
 
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Names and Synonyms

Synonyms

  • 2'-Chloro-2-(diethylamino)-5'-trifluoromethylacetanilide, hydrochloride
  • Acetanilide, 2'-chloro-2-(diethylamino)-5'-trifluoromethyl-, hydrochloride
  • C 3077

Systematic Name

  • m-Acetotoluidide, 6'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 77966-53-1

System Generated Number

  • 0077966531

Molecular Formulas

Molecular Formula

  • C13-H16-Cl-F3-N2-O.Cl-H

Molecular Formula Fragments

  • C13-H16-Cl-F3-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16ClF3N2O.ClH/c1-3-19(4-2)8-12(20)18-11-7-9(13(15,16)17)5-6-10(11)14;/h5-7H,3-4,8H2,1-2H3,(H,18,20);1H

InChIKey

NEVMRILDXQVADV-UHFFFAOYSA-N

Smiles

c1(cc(ccc1Cl)C(F)(F)F)NC(C[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 4250mg/kg (4250mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958.
rat LD50 intraperitoneal 590mg/kg (590mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958.