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Substance Name: 3-Phenyl-5-(2-piperidinoethyl)isoxazole
RN: 58446-07-4
InChIKey: WUYWHUFUKXULGK-UHFFFAOYSA-N

Molecular Formula

  • C16-H20-N2-O.x-C6-H8-O7

Molecular Weight

  • 448.4692
 
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Names and Synonyms

Name of Substance

  • 3-Phenyl-5-(2-piperidinoethyl)isoxazole

Synonym

  • 3-Phenyl-5-(2-piperidinoethyl)isoxazole citrate

Systematic Name

  • Piperidine, 1-(2-(3-phenyl-5-isoxazolyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate

Registry Numbers

CAS Registry Number

  • 58446-07-4

Related Registry Number

  • 912-12-9 (monocitrate)

System Generated Number

  • 0058446074

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O.x-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(19-17-16)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

WUYWHUFUKXULGK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(on2)CCN3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O