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Substance Name: Morpholine, 1-(2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate
RN: 62832-01-3
InChIKey: BDQFIGXMZWXQAR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl-N3-O2.C-H4-O3-S

Molecular Weight

  • 479.9824
 
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Names and Synonyms

  • Morpholine, 1-(2-((1-(4-chlorophenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62832-01-3

System Generated Number

  • 0062832013

Molecular Formulas

Molecular Formula

  • C21-H22-Cl-N3-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H22-Cl-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22ClN3O2.CH4O3S/c22-18-6-8-19(9-7-18)25-16-20(17-4-2-1-3-5-17)21(23-25)27-15-12-24-10-13-26-14-11-24;1-5(2,3)4/h1-9,16H,10-15H2;1H3,(H,2,3,4)

InChIKey

BDQFIGXMZWXQAR-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1ccc(cc1)c2cn(nc2OCCN3CCOCC3)c4ccc(cc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,