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Substance Name: o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-6'-chloro-, dihydrochloride
RN: 102489-45-2
InChIKey: ZRYALCUWWLVYFO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C22-H30-Cl-N3-O.2Cl-H

Molecular Weight

  • 460.874
 
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Names and Synonyms

Synonyms

  • 2-(Benzyl(2-(diethylamino)ethyl)amino)-6'-chloro-o-acetotoluidide dihydrochloride
  • C 5296

Systematic Name

  • o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-6'-chloro-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 102489-45-2

System Generated Number

  • 0102489452

Molecular Formulas

Molecular Formula

  • C22-H30-Cl-N3-O.2Cl-H

Molecular Formula Fragments

  • C22-H30-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30ClN3O.2ClH/c1-4-25(5-2)14-15-26(16-19-11-7-6-8-12-19)17-21(27)24-22-18(3)10-9-13-20(22)23;;/h6-13H,4-5,14-17H2,1-3H3,(H,24,27);2*1H

InChIKey

ZRYALCUWWLVYFO-UHFFFAOYSA-N

Smiles

C([N@@H+](CC(Nc1c(cccc1Cl)C)=O)CC[NH+](CC)CC)c1ccccc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 32mg/kg (32mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 167, 1959.