Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Quinoline, 1,2-dihydro-1-benzoyl-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)
RN: 70753-00-3
InChIKey: BWZQUYLXIKNHHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H34-N4-O.C12-H16-O14

Molecular Weight

  • 874.892
 
* 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

  • Quinoline, 1,2-dihydro-1-benzoyl-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)

Registry Numbers

CAS Registry Number

  • 70753-00-3

System Generated Number

  • 0070753003

Molecular Formulas

Molecular Formula

  • C32-H34-N4-O.C12-H16-O14

Molecular Formula Fragments

  • C12-H16-O14
  • C32-H34-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C32H34N4O.2C6H8O7/c1-33-20-22-34(23-21-33)18-9-19-35-24-28(27-13-6-8-15-30(27)35)31-17-16-25-10-5-7-14-29(25)36(31)32(37)26-11-3-2-4-12-26;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,10-17,24,31H,9,18-23H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

BWZQUYLXIKNHHK-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)CCCn2cc(c3c2cccc3)C4C=Cc5ccccc5N4C(=O)c6ccccc6.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 378, 1979.