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Substance Name: 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-ethyl-, hydrochloride
RN: 50765-78-1
InChIKey: IKXBIIHSAINQQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2.Cl-H

Molecular Weight

  • 411.03
 
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Names and Synonyms

Synonym

  • alpha-(2-Diprenylaminoethyl)-alpha-ethyl-1-naphthylacetonitrile hydrochloride

Systematic Name

  • 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-ethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 50765-78-1

System Generated Number

  • 0050765781

Molecular Formulas

Molecular Formula

  • C26-H34-N2.Cl-H

Molecular Formula Fragments

  • C26-H34-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34N2.ClH/c1-6-26(20-27,25-13-9-11-23-10-7-8-12-24(23)25)16-19-28(17-14-21(2)3)18-15-22(4)5;/h7-15H,6,16-19H2,1-5H3;1H

InChIKey

IKXBIIHSAINQQA-UHFFFAOYSA-N

Smiles

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