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Substance Name: 1,3-Indandione, 2-benzyl-2-(4-morpholino-2-butynyl)-, hydrochloride
RN: 22019-30-3
InChIKey: PKYPPFVWAAFVEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N-O3.Cl-H

Molecular Weight

  • 409.911
 
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Names and Synonyms

Synonym

  • 2-Benzyl-2-(delta-morpholinobutynyl)indan-1,3-dione hydrochloride

Systematic Name

  • 1,3-Indandione, 2-benzyl-2-(4-morpholino-2-butynyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 22019-30-3

System Generated Number

  • 0022019303

Molecular Formulas

Molecular Formula

  • C24-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C24-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H23NO3.ClH/c26-22-20-10-4-5-11-21(20)23(27)24(22,18-19-8-2-1-3-9-19)12-6-7-13-25-14-16-28-17-15-25;/h1-5,8-11H,12-18H2;1H

InChIKey

PKYPPFVWAAFVEN-UHFFFAOYSA-N

Smiles

C1(C(C(c2ccccc12)=O)(CC#CCN1CCOCC1)Cc1ccccc1)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 392mg/kg (392mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

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