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Substance Name: 1-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
RN: 50765-71-4
InChIKey: HQZMBBVUXLTMFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2.Cl-H

Molecular Weight

  • 342.911
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50765-71-4

System Generated Number

  • 0050765714

Molecular Formulas

Molecular Formula

  • C21-H26-N2.Cl-H

Molecular Formula Fragments

  • C21-H26-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2.ClH/c1-17(2)12-13-21(16-22,14-15-23(3)4)20-11-7-9-18-8-5-6-10-19(18)20;/h5-12H,13-15H2,1-4H3;1H

InChIKey

HQZMBBVUXLTMFX-UHFFFAOYSA-N

Smiles

c1([C@@](C\C=C(\C)C)(CC[NH+](C)C)C#N)c2c(ccc1)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 325mg/kg (325mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 720, 1973.
rat LD50 oral > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 720, 1973.