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Substance Name: 1-Butanamine, N-butyl-N-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate
RN: 62832-67-1
InChIKey: CRYRYBYLOMQRJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N3-O.C-H4-O3-S

Molecular Weight

  • 487.6613
 
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Names and Synonyms

Synonyms

  • Methanesulfonate de diphenyl-1,4 beta-butylaminoethoxy-3 pyrazole
  • Methanesulfonate de diphenyl-1,4 beta-butylaminoethoxy-3 pyrazole [French]
  • N-Butyl-N-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-1-butanamine monomethanesulfonate

Systematic Name

  • 1-Butanamine, N-butyl-N-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62832-67-1

System Generated Number

  • 0062832671

Molecular Formulas

Molecular Formula

  • C25-H33-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C25-H33-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33N3O.CH4O3S/c1-3-5-17-27(18-6-4-2)19-20-29-25-24(22-13-9-7-10-14-22)21-28(26-25)23-15-11-8-12-16-23;1-5(2,3)4/h7-16,21H,3-6,17-20H2,1-2H3;1H3,(H,2,3,4)

InChIKey

CRYRYBYLOMQRJK-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCOc1c(cn(n1)c2ccccc2)c3ccccc3.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 750mg/kg (750mg/kg)   French Demande Patent Document. Vol. #2301250,