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Substance Name: Isonicotinic acid, alpha-((diethylamino)methyl)benzyl ester, dihydrochloride
RN: 108367-25-5
InChIKey: XOEAGJVQWNQRGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N2-O2.2Cl-H

Molecular Weight

  • 371.306
 
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Names and Synonyms

  • Isonicotinic acid, alpha-((diethylamino)methyl)benzyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 108367-25-5

System Generated Number

  • 0108367255

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O2.2Cl-H

Molecular Formula Fragments

  • C18-H22-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N2O2.2ClH/c1-3-20(4-2)14-17(15-8-6-5-7-9-15)22-18(21)16-10-12-19-13-11-16;;/h5-13,17H,3-4,14H2,1-2H3;2*1H

InChIKey

XOEAGJVQWNQRGI-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(c2cc[n+]cc2)=O)C[NH+](CC)CC)ccccc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 200mg/kg (200mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.