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Substance Name: 1-Propanamine, 3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-N-propyl-, monomethanesulfonate
RN: 62832-98-8
InChIKey: YJAKTRYRHNCYET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O.C-H4-O3-S

Molecular Weight

  • 431.5541
 
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Names and Synonyms

Synonym

  • 3-((1,4-Diphenyl-1H-pyrazol-3-yl)oxy)-N-propyl-1-propanamine monomethanesulfonate

Systematic Name

  • 1-Propanamine, 3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-N-propyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62832-98-8

System Generated Number

  • 0062832988

Molecular Formulas

Molecular Formula

  • C21-H25-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N3O.CH4O3S/c1-2-14-22-15-9-16-25-21-20(18-10-5-3-6-11-18)17-24(23-21)19-12-7-4-8-13-19;1-5(2,3)4/h3-8,10-13,17,22H,2,9,14-16H2,1H3;1H3,(H,2,3,4)

InChIKey

YJAKTRYRHNCYET-UHFFFAOYSA-N

Smiles

CCCNCCCOc1c(cn(n1)c2ccccc2)c3ccccc3.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 intravenous 38mg/kg (38mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral 550mg/kg (550mg/kg)   French Demande Patent Document. Vol. #2301250,