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Substance Name: 1-Phthalancarbonitrile, 3,3-dimethyl-1-(3-(methylamino)propyl)-, hydrochloride
RN: 22048-60-8
InChIKey: XJRHFWUNXDGVNU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O.Cl-H

Molecular Weight

  • 280.797
 
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Names and Synonyms

Synonyms

  • 1-Isobenzofurancarbonitrile, 1,3-dihydro-3,3-dimethyl-1-(3-(methylamino)propyl)-, HCl
  • 3,3-Dimethyl-1-(3-(methylamino)propyl)-1-phthalancarbonitrile hydrochloride
  • LU 4-012 hydrochloride

Systematic Name

  • 1-Phthalancarbonitrile, 3,3-dimethyl-1-(3-(methylamino)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 22048-60-8

System Generated Number

  • 0022048608

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O.Cl-H

Molecular Formula Fragments

  • C15-H20-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20N2O.ClH/c1-14(2)12-7-4-5-8-13(12)15(11-16,18-14)9-6-10-17-3;/h4-5,7-8,17H,6,9-10H2,1-3H3;1H

InChIKey

XJRHFWUNXDGVNU-UHFFFAOYSA-N

Smiles

O1[C@@](c2ccccc2C1(C)C)(C#N)CCCNC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 59mg/kg (59mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 28, Pg. 241, 1970.