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Substance Name: 1-Propanamine, 3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-N-(1,1-dimethylethyl)-, monomethanesulfonate
RN: 62833-03-8
InChIKey: DCHKHXCERJVYMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O.C-H4-O3-S

Molecular Weight

  • 445.5809
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62833-03-8

System Generated Number

  • 0062833038

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H27-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27N3O.CH4O3S/c1-22(2,3)23-15-10-16-26-21-20(18-11-6-4-7-12-18)17-25(24-21)19-13-8-5-9-14-19;1-5(2,3)4/h4-9,11-14,17,23H,10,15-16H2,1-3H3;1H3,(H,2,3,4)

InChIKey

DCHKHXCERJVYMO-UHFFFAOYSA-N

Smiles

CC(C)(C)NCCCOc1c(cn(n1)c2ccccc2)c3ccccc3.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 intravenous 25mg/kg (25mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral 800mg/kg (800mg/kg)   French Demande Patent Document. Vol. #2301250,