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Substance Name: 1-Piperazineacetamide, 4-(2-pyridinyl)-N-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:2)
RN: 103840-79-5
InChIKey: XJSJFGXLUPNYNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-F3-N4-O.2C2-H2-O4

Molecular Weight

  • 546.4525
 
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Names and Synonyms

Synonym

  • 4-(2-Pyridinyl)-N-(3-(trifluoromethyl)phenyl)-1-piperazineacetamide ethanedioate (1:2)

Systematic Name

  • 1-Piperazineacetamide, 4-(2-pyridinyl)-N-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 103840-79-5

System Generated Number

  • 0103840795

Molecular Formulas

Molecular Formula

  • C18-H19-F3-N4-O.2C2-H2-O4

Molecular Formula Fragments

  • C18-H19-F3-N4-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20F3N4O.2C2H2O4/c19-18(20,21)14-4-3-5-15(12-14)25(17-6-1-2-7-23-17)10-8-24(9-11-25)13-16(22)26;2*3-1(4)2(5)6/h1-7,12H,8-11,13H2,(H2,22,26);2*(H,3,4)(H,5,6)

InChIKey

XJSJFGXLUPNYNN-UHFFFAOYSA-N

Smiles

c1ccnc(c1)N2(CCN(CC2)CC(=O)N)c3cccc(c3)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 109mg/kg (109mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
United States Patent Document. Vol. #4673675,