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Substance Name: 1-Naphthalenepropionitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-isopropyl-, hydrochloride
RN: 50765-83-8
InChIKey: PXUVKPNONSFCNO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N2.Cl-H

Molecular Weight

  • 439.083
 
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Names and Synonyms

Synonym

  • alpha-(2-Diprenylaminoethyl)-alpha-isopropyl-1-naphthylpropionitrile hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50765-83-8

System Generated Number

  • 0050765838

Molecular Formulas

Molecular Formula

  • C28-H38-N2.Cl-H

Molecular Formula Fragments

  • C28-H38-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38N2.ClH/c1-22(2)14-17-30(18-15-23(3)4)19-16-28(21-29,24(5)6)20-26-12-9-11-25-10-7-8-13-27(25)26;/h7-15,24H,16-20H2,1-6H3;1H

InChIKey

PXUVKPNONSFCNO-UHFFFAOYSA-N

Smiles

C([C@@](CC[NH+](C\C=C(\C)C)C\C=C(\C)C)(C(C)C)C#N)c1c2c(ccc1)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 566mg/kg (566mg/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.