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Substance Name: 1,3-Indandione, 2-(4-(diisopropylamino)-2-butynyl)-2-phenyl-, hydrochloride
RN: 22019-22-3
InChIKey: MVUKXJUDCUFXMM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-O2.Cl-H

Molecular Weight

  • 409.954
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22019-22-3

System Generated Number

  • 0022019223

Molecular Formulas

Molecular Formula

  • C25-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C25-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27NO2.ClH/c1-18(2)26(19(3)4)17-11-10-16-25(20-12-6-5-7-13-20)23(27)21-14-8-9-15-22(21)24(25)28;/h5-9,12-15,18-19H,16-17H2,1-4H3;1H

InChIKey

MVUKXJUDCUFXMM-UHFFFAOYSA-N

Smiles

C1(C(C(c2ccccc12)=O)(c1ccccc1)CC#CCN(C(C)C)C(C)C)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 127mg/kg (127mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

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