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Substance Name: Isoxazole, 3-(diethylaminomethyl)-5-methyl-, citrate (1:1)
RN: 971-62-0
InChIKey: FEZXUJRFFSBRGT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O.C6-H8-O7

Molecular Weight

  • 360.361
 
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Names and Synonyms

Synonym

  • 3-(Diethylaminomethyl)-5-methylisoxazole citrate

Systematic Name

  • Isoxazole, 3-(diethylaminomethyl)-5-methyl-, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 971-62-0

System Generated Number

  • 0000971620

Molecular Formulas

Molecular Formula

  • C9-H16-N2-O.C6-H8-O7

Molecular Formula Fragments

  • C6-H8-O7
  • C9-H16-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C9H16N2O.C6H8O7/c1-4-11(5-2)7-9-6-8(3)12-10-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h6H,4-5,7H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

FEZXUJRFFSBRGT-UHFFFAOYSA-N

Smiles

C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O.c1(C[NH+](CC)CC)cc(C)on1

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.