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Substance Name: 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-
RN: 37741-98-3
InChIKey: ZXUBAZCNKGQDSN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-N2-O2

Molecular Weight

  • 434.5364
 
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Names and Synonyms

Synonyms

  • 2-Phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-1,3-indandione
  • 5-23-02-00239 (Beilstein Handbook Reference)
  • BRN 0902582

Systematic Name

  • 1,3-Indandione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)-2-butyn-1-yl)-

Registry Numbers

CAS Registry Number

  • 37741-98-3

System Generated Number

  • 0037741983

Structure Descriptors

InChI

1S/C29H26N2O2/c32-27-25-15-7-8-16-26(25)28(33)29(27,23-11-3-1-4-12-23)17-9-10-18-30-19-21-31(22-20-30)24-13-5-2-6-14-24/h1-8,11-16H,17-22H2

InChIKey

ZXUBAZCNKGQDSN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(C(=O)c3ccccc3C2=O)CC#CCN4CCN(CC4)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: ANALGESIA
Pharmaceutical Chemistry Journal Vol. 7, Pg. 691, 1973.