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Substance Name: Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate
RN: 62831-98-5
InChIKey: KWVNURJQJHSORK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl-N3-O.C-H4-O3-S

Molecular Weight

  • 465.9992
 
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Names and Synonyms

  • Ethanamine, 2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-N,N-diethyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62831-98-5

System Generated Number

  • 0062831985

Molecular Formulas

Molecular Formula

  • C21-H24-Cl-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H24-Cl-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24ClN3O.CH4O3S/c1-3-24(4-2)14-15-26-21-20(17-8-6-5-7-9-17)16-25(23-21)19-12-10-18(22)11-13-19;1-5(2,3)4/h5-13,16H,3-4,14-15H2,1-2H3;1H3,(H,2,3,4)

InChIKey

KWVNURJQJHSORK-UHFFFAOYSA-N

Smiles

CCN(CC)CCOc1c(cn(n1)c2ccc(cc2)Cl)c3ccccc3.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2301250,