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Substance Name: 3-Pyridinecarboxylic acid, 1-((diethylamino)methyl)-2-phenoxyethyl ester, dihydrochloride
RN: 55315-96-3
InChIKey: GDEHJFDAUIMECE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N2-O3.2Cl-H

Molecular Weight

  • 401.3314
 
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Names and Synonyms

Synonyms

  • Nicotinate de N,N-diethylamino-3 phenoxy-1 propanol-2 dichlorhydrate
  • Nicotinate de N,N-diethylamino-3 phenoxy-1 propanol-2 dichlorhydrate [French]

Systematic Name

  • 3-Pyridinecarboxylic acid, 1-((diethylamino)methyl)-2-phenoxyethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 55315-96-3

System Generated Number

  • 0055315963

Molecular Formulas

Molecular Formula

  • C19-H23-N2-O3.2Cl-H

Molecular Formula Fragments

  • C19-H23-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24N2O3.2ClH/c1-3-21(4-2)14-18(15-23-17-10-6-5-7-11-17)24-19(22)16-9-8-12-20-13-16;;/h5-13,18H,3-4,14-15H2,1-2H3;2*1H

InChIKey

GDEHJFDAUIMECE-UHFFFAOYSA-N

Smiles

CCN(CC)CC(COc1ccccc1)OC(=O)c2cccnc2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   French Demande Patent Document. Vol. #2223006,
mouse LD50 oral 600mg/kg (600mg/kg)   French Demande Patent Document. Vol. #2223006,