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Substance Name: Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride
RN: 1087-04-3
InChIKey: NVZVMBPYLBWVBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O.Cl-H

Molecular Weight

  • 278.781
 
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Names and Synonyms

Synonyms

  • 3-Phenyl-5-(2-pyrrolidinoethyl)isoxazole hydrochloride
  • Isoxazole, 5-(2-pyrrolidinoethyl)-3-phenyl-, hydrochloride

Systematic Name

  • Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1087-04-3

System Generated Number

  • 0001087043

Molecular Formulas

Molecular Formula

  • C15-H18-N2-O.Cl-H

Molecular Formula Fragments

  • C15-H18-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N2O.ClH/c1-2-6-13(7-3-1)15-12-14(18-16-15)8-11-17-9-4-5-10-17;/h1-3,6-7,12H,4-5,8-11H2;1H

InChIKey

NVZVMBPYLBWVBZ-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)cc(CC[NH+]2CCCC2)on1.[ClH-]

Toxicity

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