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Substance Name: Isoxazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
RN: 952-29-4
InChIKey: LLJOIXGMUXMBCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N2-O.Cl-H

Molecular Weight

  • 252.743
 
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Names and Synonyms

Synonym

  • 3-Phenyl-5-(2-(dimethylamino)ethyl)isoxazole hydrochloride

Systematic Name

  • Isoxazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 952-29-4

System Generated Number

  • 0000952294

Molecular Formulas

Molecular Formula

  • C13-H16-N2-O.Cl-H

Molecular Formula Fragments

  • C13-H16-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16N2O.ClH/c1-15(2)9-8-12-10-13(14-16-12)11-6-4-3-5-7-11;/h3-7,10H,8-9H2,1-2H3;1H

InChIKey

LLJOIXGMUXMBCX-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)cc(CC[NH+](C)C)on1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 682mg/kg (682mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 411, 1967.