Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Butenedioic acid, compd. with 1-(3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)propyl)-4-piperidinol (1:1)
RN: 62833-06-1
InChIKey: AIDYQCOJFOCJTA-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O2.C4-H4-O4

Molecular Weight

  • 493.5569
 
* 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

  • 2-Butenedioic acid, compd. with 1-(3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)propyl)-4-piperidinol (1:1)

Registry Numbers

CAS Registry Number

  • 62833-06-1

System Generated Number

  • 0062833061

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C23-H27-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27N3O2.C4H4O4/c27-21-12-15-25(16-13-21)14-7-17-28-23-22(19-8-3-1-4-9-19)18-26(24-23)20-10-5-2-6-11-20;5-3(6)1-2-4(7)8/h1-6,8-11,18,21,27H,7,12-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

AIDYQCOJFOCJTA-WLHGVMLRSA-N

Smiles

c1ccc(cc1)c2cn(nc2OCCCN3CCC(CC3)O)c4ccccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,