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Substance Name: 1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate (1:1)
RN: 14838-45-0
InChIKey: LLIFHVXJAXBPMC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C16-H20-N2-O2.C6-H8-O7

Molecular Weight

  • 464.468
 
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Names and Synonyms

Synonyms

  • 3-(1-Hydroxy-2-piperidinoethyl)-5-phenylisoxazole citrate
  • 3-Isoxazolemethanol, alpha-(piperidinomethyl)-5-phenyl-, citrate
  • Isoxazole, 3-(1-hydroxy-2-piperidinoethyl)-5-phenyl-, citrate

Systematic Name

  • 1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 14838-45-0

Related Registry Number

  • 2055-44-9 (Parent)

System Generated Number

  • 0014838450

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O2.C6-H8-O7

Molecular Formula Fragments

  • C16-H20-N2-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N2O2.C6H8O7/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LLIFHVXJAXBPMC-UHFFFAOYSA-N

Smiles

N1(CCCCC1)C[C@@H](O)c1noc(c1)c1ccccc1.C(C(CC(=O)O)(C(=O)O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 416mg/kg (416mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 411, 1967.