Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-methyl-, hydrochloride
RN: 50765-77-0
InChIKey: MPNVQOYJNGVWGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N2.Cl-H

Molecular Weight

  • 397.003
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50765-77-0

System Generated Number

  • 0050765770

Molecular Formulas

Molecular Formula

  • C25-H32-N2.Cl-H

Molecular Formula Fragments

  • C25-H32-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32N2.ClH/c1-20(2)13-16-27(17-14-21(3)4)18-15-25(5,19-26)24-12-8-10-22-9-6-7-11-23(22)24;/h6-14H,15-18H2,1-5H3;1H

InChIKey

MPNVQOYJNGVWGN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 711mg/kg (711mg/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.