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Substance Name: Isonipecotic acid, 1-(beta-(4-methyl-1-piperazinyl)phenethyl)-4-phenyl-, ethyl ester, trihydrochloride
RN: 13451-62-2
InChIKey: SKBFVALEQIENFL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H37-N3-O2.3Cl-H

Molecular Weight

  • 544.991
 
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Names and Synonyms

  • Isonipecotic acid, 1-(beta-(4-methyl-1-piperazinyl)phenethyl)-4-phenyl-, ethyl ester, trihydrochloride

Registry Numbers

CAS Registry Number

  • 13451-62-2

System Generated Number

  • 0013451622

Molecular Formulas

Molecular Formula

  • C27-H37-N3-O2.3Cl-H

Molecular Formula Fragments

  • C27-H37-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H37N3O2.3ClH/c1-3-32-26(31)27(24-12-8-5-9-13-24)14-16-29(17-15-27)22-25(23-10-6-4-7-11-23)30-20-18-28(2)19-21-30;;;/h4-13,25H,3,14-22H2,1-2H3;3*1H

InChIKey

SKBFVALEQIENFL-UHFFFAOYSA-N

Smiles

N1([C@@H](CN2CCC(C(=O)OCC)(c3ccccc3)CC2)c2ccccc2)CCN(C)CC1.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7500ug/kg (7.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1285, 1967.