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Substance Name: 1-Propanamine, N,N-dimethyl-3-((1-(4-methylphenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)-, monomethanesulfonate
RN: 62832-42-2
InChIKey: CXWAUQYZDCFHKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O.C-H4-O3-S

Molecular Weight

  • 431.5541
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 62832-42-2

System Generated Number

  • 0062832422

Molecular Formulas

Molecular Formula

  • C21-H25-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N3O.CH4O3S/c1-17-10-12-19(13-11-17)24-16-20(18-8-5-4-6-9-18)21(22-24)25-15-7-14-23(2)3;1-5(2,3)4/h4-6,8-13,16H,7,14-15H2,1-3H3;1H3,(H,2,3,4)

InChIKey

CXWAUQYZDCFHKG-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2cc(c(n2)OCCCN(C)C)c3ccccc3.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 45mg/kg (45mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,