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Substance Name: Piperidine, 1-(2-((5-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:1)
RN: 86871-59-2
InChIKey: BEOLQYYPSXCLHM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O.C4-H4-O4

Molecular Weight

  • 387.4335
 
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Names and Synonyms

Synonyms

  • 1-(2-((5-Phenyl-1H-pyrazol-3-yl)oxy)ethyl)piperidine (Z)-2-butenedioate (1:1)
  • 3-Phenyl-5-piperidinoethoxy-pyrazole maleate

Systematic Name

  • Piperidine, 1-(2-((5-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 86871-59-2

System Generated Number

  • 0086871592

Molecular Formulas

Molecular Formula

  • C16-H21-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H21-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21N3O.C4H4O4/c1-3-7-14(8-4-1)15-13-16(18-17-15)20-12-11-19-9-5-2-6-10-19;5-3(6)1-2-4(7)8/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BEOLQYYPSXCLHM-WLHGVMLRSA-N

Smiles

c1ccc(cc1)c2cc(n[nH]2)OCCN3CCCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   European Patent Application. Vol. #0076756,