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Substance Name: Morpholine, 4-(2-((1-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate
RN: 62832-18-2
InChIKey: VPBZTIIJKBOLLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Cl-N3-O3.C-H4-O3-S

Molecular Weight

  • 510.0082
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62832-18-2

System Generated Number

  • 0062832182

Molecular Formulas

Molecular Formula

  • C22-H24-Cl-N3-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H24-Cl-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24ClN3O3.CH4O3S/c1-27-20-8-2-17(3-9-20)21-16-26(19-6-4-18(23)5-7-19)24-22(21)29-15-12-25-10-13-28-14-11-25;1-5(2,3)4/h2-9,16H,10-15H2,1H3;1H3,(H,2,3,4)

InChIKey

VPBZTIIJKBOLLW-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)c2cn(nc2OCCN3CCOCC3)c4ccc(cc4)Cl.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,