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Substance Name: 1-Propanamine, 3-((4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazol-3-yl)oxy)-N,N-dimethyl-, monomethanesulfonate
RN: 62832-58-0
InChIKey: DTIUNMGVTNNRKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl-N3-O.C-H4-O3-S

Molecular Weight

  • 465.9992
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62832-58-0

System Generated Number

  • 0062832580

Molecular Formulas

Molecular Formula

  • C21-H24-Cl-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H24-Cl-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24ClN3O.CH4O3S/c1-16-5-11-19(12-6-16)25-15-20(17-7-9-18(22)10-8-17)21(23-25)26-14-4-13-24(2)3;1-5(2,3)4/h5-12,15H,4,13-14H2,1-3H3;1H3,(H,2,3,4)

InChIKey

DTIUNMGVTNNRKL-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2cc(c(n2)OCCCN(C)C)c3ccc(cc3)Cl.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,