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Substance Name: 1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate
RN: 40671-46-3
InChIKey: OOSOWXQJLLTIAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N2-O2.x-C6-H8-O7

Molecular Weight

  • 736.8142
 
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Names and Synonyms

Synonyms

  • 1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate
  • 3-(1-Hydroxy-2-piperidinoethyl)-5-phenyl-isoxazole citrate
  • 31252-S
  • alpha-(5-Phenyl-3-isoxazolyl)-1-piperidineethanol citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40671-46-3

Related Registry Number

  • 2055-44-9 (Parent)

System Generated Number

  • 0040671463

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O2.x-C6-H8-O7

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C16H20N2O2.C6H8O7/c2*19-15(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/h2*1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

OOSOWXQJLLTIAF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(no2)C(CN3CCCCC3)O.c1ccc(cc1)c2cc(no2)C(CN3CCCCC3)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 612mg/kg (612mg/kg) BEHAVIORAL: ANALGESIA Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1757, 1976.