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Substance Name: Phenethyl-alpha,alpha-d2-amine, beta-methyl-4-piperidino-, dihydrochloride, hydrate (4:1)
RN: 71825-28-0
InChIKey: PIYQOBSUAYEOBI-HTOKXNGESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-D2-N2.2Cl-H.1/4H2-O

Molecular Weight

  • 293.2758
 
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Names and Synonyms

Synonyms

  • beta-Methyl-4-piperidinophenethyl-alpha,alpha-d2-amine dihydrochloride hydrate (4:1)
  • Dideuterio-2-methyl-2-(4-piperidinophenyl)-ethylamine dihydrochloride hydrate (4:1)

Systematic Name

  • Phenethyl-alpha,alpha-d2-amine, beta-methyl-4-piperidino-, dihydrochloride, hydrate (4:1)

Registry Numbers

CAS Registry Number

  • 71825-28-0

System Generated Number

  • 0071825280

Molecular Formulas

Molecular Formula

  • C14-H20-D2-N2.2Cl-H.1/4H2-O

Molecular Formula Fragments

  • C14-H20-D2-N2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H22N2.2ClH/c1-12(11-15)13-5-7-14(8-6-13)16-9-3-2-4-10-16;;/h5-8,12H,2-4,9-11,15H2,1H3;2*1H/i11D2;;

InChIKey

PIYQOBSUAYEOBI-HTOKXNGESA-N

Smiles

[2H]C([2H])(C(C)c1ccc(cc1)N2CCCCC2)N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1460, 1979.