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Substance Name: 1-Naphthalenepropionitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
RN: 50765-84-9
InChIKey: QIGRLMYLFKLTOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2.Cl-H

Molecular Weight

  • 356.938
 
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Names and Synonyms

Synonym

  • alpha-(2-Dimethylaminoethyl)-alpha-prenyl-1-naphthylpropionitrile hydrochloride

Systematic Name

  • 1-Naphthalenepropionitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 50765-84-9

System Generated Number

  • 0050765849

Molecular Formulas

Molecular Formula

  • C22-H28-N2.Cl-H

Molecular Formula Fragments

  • C22-H28-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2.ClH/c1-18(2)12-13-22(17-23,14-15-24(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20;/h5-12H,13-16H2,1-4H3;1H

InChIKey

QIGRLMYLFKLTOE-UHFFFAOYSA-N

Smiles

c12c(C[C@@](C\C=C(\C)C)(CC[NH+](C)C)C#N)cccc1cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 572mg/kg (572mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 720, 1973.
rat LD50 oral > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 720, 1973.