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Substance Name: 2-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
RN: 50765-85-0
InChIKey: OEEHXSFHUNVJJI-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

Synonyms

  • alpha-(2-Dimethylaminoethyl)-alpha-prenyl-2-naphthylacetonitrile hydrochloride
  • NSC 181943

Systematic Names

  • 2-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-alpha-(3-methyl-2-butenyl)-,monohydrochloride (9CI)
  • 2-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 50765-85-0

System Generated Number

  • 0050765850

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

InChIKey

OEEHXSFHUNVJJI-UHFFFAOYSA-N

Smiles

c1([C@@](C\C=C(/C)C)(CC[NH+](C)C)C#N)cc2c(cccc2)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 188mg/kg (188mg/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.