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Substance Name: Isoxazole, 5-(2-(diethylamino)ethyl)-3-(2-pyridyl)-, citrate
RN: 14732-54-8
InChIKey: XCCDYWNBVUTBNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N3-O.C6-H8-O7

Molecular Weight

  • 437.446
 
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Names and Synonyms

Synonym

  • 3-(2-Pyridyl)-5-(2-(diethylamino)ethyl)-isoxazole citrate

Systematic Name

  • Isoxazole, 5-(2-(diethylamino)ethyl)-3-(2-pyridyl)-, citrate

Registry Numbers

CAS Registry Number

  • 14732-54-8

System Generated Number

  • 0014732548

Molecular Formulas

Molecular Formula

  • C14-H19-N3-O.C6-H8-O7

Molecular Formula Fragments

  • C14-H19-N3-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19N3O.C6H8O7/c1-3-17(4-2)10-8-12-11-14(16-18-12)13-7-5-6-9-15-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,9,11H,3-4,8,10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

XCCDYWNBVUTBNX-UHFFFAOYSA-N

Smiles

c1(c2ccccn2)cc(CC[NH+](CC)CC)on1.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 700mg/kg (700mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 411, 1967.