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Substance Name: 1-Propanamine, 3-((1,4-bis(4-methylphenyl)-1H-pyrazol-3-yl)oxy)-N,N-dimethyl-, monomethanesulfonate
RN: 62832-59-1
InChIKey: HYZHIOBJJSNHEH-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-bis(4-methylphenyl)-1H-pyrazol-3-yl)oxy)-N,N-dimethyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62832-59-1

System Generated Number

  • 0062832591

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/c1-17-6-10-19(11-7-17)21-16-25(20-12-8-18(2)9-13-20)23-22(21)26-15-5-14-24(3)4;1-5(2,3)4/h6-13,16H,5,14-15H2,1-4H3;1H3,(H,2,3,4)

InChIKey

HYZHIOBJJSNHEH-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2cn(nc2OCCCN(C)C)c3ccc(cc3)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 intravenous 35mg/kg (35mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,