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Substance Name: Isonicotinic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester, dihydrochloride
RN: 108477-28-7
InChIKey: YOSPOZCENYCNSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O2.2Cl-H

Molecular Weight

  • 369.29
 
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Names and Synonyms

  • Isonicotinic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 108477-28-7

System Generated Number

  • 0108477287

Molecular Formulas

Molecular Formula

  • C18-H20-N2-O2.2Cl-H

Molecular Formula Fragments

  • C18-H20-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N2O2.2ClH/c21-18(16-8-10-19-11-9-16)22-17(14-20-12-4-5-13-20)15-6-2-1-3-7-15;;/h1-3,6-11,17H,4-5,12-14H2;2*1H

InChIKey

YOSPOZCENYCNSJ-UHFFFAOYSA-N

Smiles

c1([C@@H](CN2CCCC2)OC(c2ccncc2)=O)ccccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 250mg/kg (250mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.