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Substance Name: 2-Naphthaleneacetonitrile, alpha-(2-(bis(3-methyl-2-butenyl)amino)ethyl)-alpha-(1-methylethyl)-, monohydrochloride
RN: 50765-86-1
InChIKey: KFRBUKIVLXGSAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H36-N2.Cl-H

Molecular Weight

  • 425.0563
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 50765-86-1

System Generated Number

  • 0050765861

Molecular Formulas

Molecular Formula

  • C27-H36-N2.Cl-H

Molecular Formula Fragments

  • C27-H36-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H36N2.ClH/c1-21(2)13-16-29(17-14-22(3)4)18-15-27(20-28,23(5)6)26-12-11-24-9-7-8-10-25(24)19-26;/h7-14,19,23H,15-18H2,1-6H3;1H

InChIKey

KFRBUKIVLXGSAD-UHFFFAOYSA-N

Smiles

CC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)c1ccc2ccccc2c1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/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.