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Substance Name: 1-Piperazinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, trihydrochloridehydrate, endo-
RN: 87168-50-1
InChIKey: AOPLYMHSFYAVKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H27-N3-O2.3Cl-H.H2-O

Molecular Weight

  • 404.8068
 
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Names and Synonyms

Synonym

  • endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl-1-piperazinepropanoate trihydrochloride hydrate

Systematic Name

  • 1-Piperazinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, trihydrochloridehydrate, endo-

Registry Numbers

CAS Registry Number

  • 87168-50-1

System Generated Number

  • 0087168501

Molecular Formulas

Molecular Formula

  • C15-H27-N3-O2.3Cl-H.H2-O

Molecular Formula Fragments

  • C15-H27-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H29N3O2.3ClH/c1-17-7-8-19(6-5-16(20)21)11-15(17)12-9-13-3-4-14(10-12)18(13)2;;;/h12-15H,3-11H2,1-2H3,(H,20,21);3*1H

InChIKey

AOPLYMHSFYAVKL-UHFFFAOYSA-N

Smiles

CN1CCN(CC1C2CC3CCC(C2)N3C)CCC(=O)O.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 345, 1983.