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Substance Name: 1-Piperazineethanol, 4-(3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)propyl)-, dimethanesulfonate (salt)
RN: 62906-55-2
InChIKey: LHSNLDDGMLNFJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N4-O2.2C-H4-O3-S

Molecular Weight

  • 598.7382
 
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Names and Synonyms

  • 1-Piperazineethanol, 4-(3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)propyl)-, dimethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 62906-55-2

System Generated Number

  • 0062906552

Molecular Formulas

Molecular Formula

  • C24-H30-N4-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C24-H30-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30N4O2.2CH4O3S/c29-18-17-27-15-13-26(14-16-27)12-7-19-30-24-23(21-8-3-1-4-9-21)20-28(25-24)22-10-5-2-6-11-22;2*1-5(2,3)4/h1-6,8-11,20,29H,7,12-19H2;2*1H3,(H,2,3,4)

InChIKey

LHSNLDDGMLNFJB-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(cc1)c2cn(nc2OCCCN3CCN(CC3)CCO)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 235mg/kg (235mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 intravenous 90mg/kg (90mg/kg)   French Demande Patent Document. Vol. #2301250,
mouse LD50 oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2301250,