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Substance Name: 3-Quinolinecarboxylic acid, 4-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, hydrate, endo-
RN: 147017-64-9
InChIKey: JLNJEGPSTHDNBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O3.2Cl-H.H2-O

Molecular Weight

  • 385.2888
 
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Names and Synonyms

Synonym

  • endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate

Systematic Name

  • 3-Quinolinecarboxylic acid, 4-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, hydrate, endo-

Registry Numbers

CAS Registry Number

  • 147017-64-9

System Generated Number

  • 0147017649

Molecular Formulas

Molecular Formula

  • C18-H20-N2-O3.2Cl-H.H2-O

Molecular Formula Fragments

  • C18-H20-N2-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H20N2O3.2ClH/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21;;/h2-5,10-13H,6-9H2,1H3,(H,19,21);2*1H

InChIKey

JLNJEGPSTHDNBG-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(C2)OC(=O)c3cnc4ccccc4c3O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 114mg/kg (114mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 617, 1993.