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Substance Name: Piperidine, 1-(2-((5-(4-chlorophenyl)-1H-pyrazol-3-yl)oxy)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 86871-53-6
InChIKey: QLHKUJICPCKELA-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-Cl-N3-O.C4-H6-O6

Molecular Weight

  • 455.8924
 
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Names and Synonyms

  • Piperidine, 1-(2-((5-(4-chlorophenyl)-1H-pyrazol-3-yl)oxy)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 86871-53-6

System Generated Number

  • 0086871536

Molecular Formulas

Molecular Formula

  • C16-H20-Cl-N3-O.C4-H6-O6

Molecular Formula Fragments

  • C16-H20-Cl-N3-O
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20ClN3O.C4H6O6/c17-14-6-4-13(5-7-14)15-12-16(19-18-15)21-11-10-20-8-2-1-3-9-20;5-1(3(7)8)2(6)4(9)10/h4-7,12H,1-3,8-11H2,(H,18,19);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

QLHKUJICPCKELA-LREBCSMRSA-N

Smiles

c1cc(ccc1c2cc(n[nH]2)OCCN3CCCCC3)Cl.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   European Patent Application. Vol. #0076756,