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Substance Name: Isoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate
RN: 985-84-2
InChIKey: PVXAECMKNYIEOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N2-O.C6-H8-O7

Molecular Weight

  • 448.469
 
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Names and Synonyms

Synonym

  • 3-(2-Piperidinoethyl)-5-phenylisoxazole citrate

Systematic Name

  • Isoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate

Registry Numbers

CAS Registry Number

  • 985-84-2

System Generated Number

  • 0000985842

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O.C6-H8-O7

Molecular Formula Fragments

  • C16-H20-N2-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N2O.C6H8O7/c1-3-7-14(8-4-1)16-13-15(17-19-16)9-12-18-10-5-2-6-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,3-4,7-8,13H,2,5-6,9-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

PVXAECMKNYIEOD-UHFFFAOYSA-N

Smiles

c1(cc(CC[NH+]2CCCCC2)no1)c1ccccc1.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 443mg/kg (443mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 411, 1967.