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Substance Name: Isoxazole, 5-(2-(dimethylamino)ethyl)-3-(2-pyridyl)-, citrate
RN: 14732-53-7
InChIKey: TWRRLZXONXBZHH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N3-O.C6-H8-O7

Molecular Weight

  • 409.393
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14732-53-7

System Generated Number

  • 0014732537

Molecular Formulas

Molecular Formula

  • C12-H15-N3-O.C6-H8-O7

Molecular Formula Fragments

  • C12-H15-N3-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15N3O.C6H8O7/c1-15(2)8-6-10-9-12(14-16-10)11-5-3-4-7-13-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7,9H,6,8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

TWRRLZXONXBZHH-UHFFFAOYSA-N

Smiles

c1(c2ccccn2)cc(CC[NH+](C)C)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 800mg/kg (800mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 411, 1967.