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Substance Name: 2-Adamantanol, 1-(4-methyl-1-piperazinyl)methyl-, dihydrochloride
RN: 59177-68-3
InChIKey: AHNJRVQNALCMNR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-N2-O.2Cl-H

Molecular Weight

  • 337.332
 
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Names and Synonyms

Synonym

  • 2-Hydroxy-1-(4-methyl-1-piperazinyl)methyladamantane dihydrochloride

Systematic Name

  • 2-Adamantanol, 1-(4-methyl-1-piperazinyl)methyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 59177-68-3

System Generated Number

  • 0059177683

Molecular Formulas

Molecular Formula

  • C16-H28-N2-O.2Cl-H

Molecular Formula Fragments

  • C16-H28-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H28N2O.2ClH/c1-17-2-4-18(5-3-17)11-16-9-12-6-13(10-16)8-14(7-12)15(16)19;;/h12-15,19H,2-11H2,1H3;2*1H

InChIKey

AHNJRVQNALCMNR-UHFFFAOYSA-N

Smiles

C12([C@@H](C3C[C@@H](C2)C[C@@H](C1)C3)O)CN1CCN(C)CC1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 304mg/kg (304mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.
mouse LD50 oral 405mg/kg (405mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.