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Substance Name: 1-Propanamine, 3-((4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)oxy)-N,N-dimethyl-, monomethanesulfonate
RN: 62832-44-4
InChIKey: AGJMCVKYDWEKDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-N3-O.C-H4-O3-S

Molecular Weight

  • 451.9724
 
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Names and Synonyms

  • 1-Propanamine, 3-((4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)oxy)-N,N-dimethyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 62832-44-4

System Generated Number

  • 0062832444

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H22-Cl-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22ClN3O.CH4O3S/c1-23(2)13-8-14-25-20-18(17-11-6-7-12-19(17)21)15-24(22-20)16-9-4-3-5-10-16;1-5(2,3)4/h3-7,9-12,15H,8,13-14H2,1-2H3;1H3,(H,2,3,4)

InChIKey

AGJMCVKYDWEKDG-UHFFFAOYSA-N

Smiles

CN(C)CCCOc1c(cn(n1)c2ccccc2)c3ccccc3Cl.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 intravenous 50mg/kg (50mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,