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Substance Name: 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride
RN: 22019-14-3
InChIKey: PLQIYUVYXBGYGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N-O2.Cl-H

Molecular Weight

  • 353.847
 
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Names and Synonyms

Synonym

  • 2-Phenyl-2-(delta-dimethylaminobutynyl)indan-1,3-dione hydrochloride

Systematic Name

  • 1,3-Indandione, 2-(4-(dimethylamino)-2-butynyl)-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 22019-14-3

System Generated Number

  • 0022019143

Molecular Formulas

Molecular Formula

  • C21-H19-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H19-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19NO2.ClH/c1-22(2)15-9-8-14-21(16-10-4-3-5-11-16)19(23)17-12-6-7-13-18(17)20(21)24;/h3-7,10-13H,14-15H2,1-2H3;1H

InChIKey

PLQIYUVYXBGYGK-UHFFFAOYSA-N

Smiles

Cl.CN(C)CC#CCC1(C(=O)c2ccccc2C1=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 68mg/kg (68mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 2, Pg. 428, 1968.