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Substance Name: 1-Naphthaleneacetonitrile, alpha-(2-(bis(3-methyl-2-butenyl)amino)ethyl)-alpha-(3-methyl-2-butenyl)-, monohydrochloride
RN: 50765-81-6
InChIKey: NGTBYURXFKBHPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H38-N2.Cl-H

Molecular Weight

  • 451.0941
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 50765-81-6

System Generated Number

  • 0050765816

Molecular Formulas

Molecular Formula

  • C29-H38-N2.Cl-H

Molecular Formula Fragments

  • C29-H38-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H38N2.ClH/c1-23(2)14-17-29(22-30,28-13-9-11-26-10-7-8-12-27(26)28)18-21-31(19-15-24(3)4)20-16-25(5)6;/h7-16H,17-21H2,1-6H3;1H

InChIKey

NGTBYURXFKBHPB-UHFFFAOYSA-N

Smiles

CC(=CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)c1cccc2c1cccc2)C.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.