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Substance Name: 1H-Pyrazole, 1,4-diphenyl-3-(2-(1-pyrrolidinyl)ethoxy)-, monomethanesulfonate
RN: 62832-88-6
InChIKey: BPKXEZQEFMGDGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N3-O.C-H4-O3-S

Molecular Weight

  • 429.5383
 
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Names and Synonyms

Synonym

  • 1,4-Diphenyl-3-(2-(1-pyrrolidinyl)ethoxy)-1H-pyrazole monomethanesulfonate

Systematic Name

  • 1H-Pyrazole, 1,4-diphenyl-3-(2-(1-pyrrolidinyl)ethoxy)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62832-88-6

System Generated Number

  • 0062832886

Molecular Formulas

Molecular Formula

  • C21-H23-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H23-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23N3O.CH4O3S/c1-3-9-18(10-4-1)20-17-24(19-11-5-2-6-12-19)22-21(20)25-16-15-23-13-7-8-14-23;1-5(2,3)4/h1-6,9-12,17H,7-8,13-16H2;1H3,(H,2,3,4)

InChIKey

BPKXEZQEFMGDGV-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1ccc(cc1)c2cn(nc2OCCN3CCCC3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 intravenous 18mg/kg (18mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2301250,