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Substance Name: o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride
RN: 109654-77-5
InChIKey: DEFPJFLOAHQYCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-Cl-N2-O.Cl-H

Molecular Weight

  • 291.22
 
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Names and Synonyms

Synonym

  • 3'-Chloro-2-isobutylamino-o-acetotoluidide hydrochloride

Systematic Name

  • o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 109654-77-5

System Generated Number

  • 0109654775

Molecular Formulas

Molecular Formula

  • C13-H19-Cl-N2-O.Cl-H

Molecular Formula Fragments

  • C13-H19-Cl-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19ClN2O.ClH/c1-9(2)7-15-8-13(17)16-12-6-4-5-11(14)10(12)3;/h4-6,9,15H,7-8H2,1-3H3,(H,16,17);1H

InChIKey

DEFPJFLOAHQYCG-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)Cl)C)NC(C[NH2+]CC(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 49, Pg. 80, 1960.
mouse LD50 subcutaneous 450mg/kg (450mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 49, Pg. 80, 1960.