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Substance Name: 1,3-Indandione, 2-(4-(dibutylamino)-2-butynyl)-2-phenyl-, hydrochloride
RN: 22141-60-2
InChIKey: CWXUXRGYNQGQCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N-O2.Cl-H

Molecular Weight

  • 438.008
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22141-60-2

System Generated Number

  • 0022141602

Molecular Formulas

Molecular Formula

  • C27-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C27-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31NO2.ClH/c1-3-5-19-28(20-6-4-2)21-13-12-18-27(22-14-8-7-9-15-22)25(29)23-16-10-11-17-24(23)26(27)30;/h7-11,14-17H,3-6,18-21H2,1-2H3;1H

InChIKey

CWXUXRGYNQGQCD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

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