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Substance Name: Morpholine, 4-(2-((1,4-bis(4-chlorophenyl)-1H-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate
RN: 62832-19-3
InChIKey: PDHPOMROSDDGPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-Cl2-N3-O2.C-H4-O3-S

Molecular Weight

  • 514.4275
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62832-19-3

System Generated Number

  • 0062832193

Molecular Formulas

Molecular Formula

  • C21-H21-Cl2-N3-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H21-Cl2-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21Cl2N3O2.CH4O3S/c22-17-3-1-16(2-4-17)20-15-26(19-7-5-18(23)6-8-19)24-21(20)28-14-11-25-9-12-27-13-10-25;1-5(2,3)4/h1-8,15H,9-14H2;1H3,(H,2,3,4)

InChIKey

PDHPOMROSDDGPW-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc(ccc1c2cn(nc2OCCN3CCOCC3)c4ccc(cc4)Cl)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,