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Substance Name: o-Butyrotoluidide, 6'-chloro-2-(propylamino)-, hydrochloride
RN: 77985-17-2
InChIKey: BDCFRQJLCIAEOS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C14-H21-Cl-N2-O.Cl-H

Molecular Weight

  • 305.247
 
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Names and Synonyms

Synonyms

  • 6'-Chloro-2-(propylamino)-o-butyrotoluidide hydrochloride
  • C 3189

Systematic Name

  • o-Butyrotoluidide, 6'-chloro-2-(propylamino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 77985-17-2

System Generated Number

  • 0077985172

Molecular Formulas

Molecular Formula

  • C14-H21-Cl-N2-O.Cl-H

Molecular Formula Fragments

  • C14-H21-Cl-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21ClN2O.ClH/c1-4-9-16-12(5-2)14(18)17-13-10(3)7-6-8-11(13)15;/h6-8,12,16H,4-5,9H2,1-3H3,(H,17,18);1H

InChIKey

BDCFRQJLCIAEOS-UHFFFAOYSA-N

Smiles

c1(NC([C@@H]([NH2+]CCC)CC)=O)c(cccc1Cl)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 57500ug/kg (57.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 544, 1958.
rat LD50 intraperitoneal 34500ug/kg (34.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 544, 1958.