Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Indene-1,3(2H)-dione, 2-(4-(4-(3-methoxyphenyl)-1-piperazinyl)-2-butynyl)-2-phenyl-, ethanedioate (1:1)
RN: 51099-38-8
InChIKey: HPNRIRPKFBQZMJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H28-N2-O3.C2-H2-O4

Molecular Weight

  • 554.596
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 1H-Indene-1,3(2H)-dione, 2-(4-(4-(3-methoxyphenyl)-1-piperazinyl)-2-butynyl)-2-phenyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 51099-38-8

System Generated Number

  • 0051099388

Molecular Formulas

Molecular Formula

  • C30-H28-N2-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C30-H28-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H28N2O3.C2H2O4/c1-35-25-13-9-12-24(22-25)32-20-18-31(19-21-32)17-8-7-16-30(23-10-3-2-4-11-23)28(33)26-14-5-6-15-27(26)29(30)34;3-1(4)2(5)6/h2-6,9-15,22H,16-21H2,1H3;(H,3,4)(H,5,6)

InChIKey

HPNRIRPKFBQZMJ-UHFFFAOYSA-N

Smiles

COc1cccc(c1)N2CCN(CC2)CC#CCC3(C(=O)c4ccccc4C3=O)c5ccccc5.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 4gm/kg (4000mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 691, 1973.