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Substance Name: 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-isopropyl-, hydrochloride
RN: 50765-79-2
InChIKey: OXLHOZMVPXHJLA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H36-N2.Cl-H

Molecular Weight

  • 425.056
 
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Names and Synonyms

Synonym

  • alpha-Isopropyl-alpha-(2-diprenylaminoethyl)-1-naphthylacetonitrile hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50765-79-2

System Generated Number

  • 0050765792

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

InChIKey

OXLHOZMVPXHJLA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 426mg/kg (426mg/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.