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Substance Name: Pentapiperium methylsulfate [USAN]
RN: 7681-80-3
UNII: Y8B7PF4062
InChIKey: YGURFDXYQNOJCS-UHFFFAOYSA-M

Classification Code

  • Anticholinergic

Molecular Formulas

  • C19-H30-N-O2.C-H3-O4-S
  • C20-H33-N-O6-S

Molecular Weight

  • 415.548
 
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Names and Synonyms

Name of Substance

  • Pentapiperium methylsulfate [USAN]
  • Pentapiperium metilsulfate [INN]

Synonyms

  • 1,1-Dimethyl-4-((3-methyl-1-oxo-2-phenylpentyl)oxy)piperidinium methylsulfate
  • 4-Hydroxy-1,1-dimethylpiperidinium methyl sulfate 3-methyl-2-phenylvalerate
  • AY-5810
  • EINECS 231-678-8
  • Hycholin
  • Metilsulfate de pentapiperium
  • Metilsulfate de pentapiperium [INN-French]
  • Metilsulfato de pentapiperio
  • Metilsulfato de pentapiperio [INN-Spanish]
  • Pentapiperide methylsulfate
  • Pentapiperii metilsulfas
  • Pentapiperii metilsulfas [INN-Latin]
  • Pentapiperium methylsulfate
  • Pentapiperium metilsulfate
  • Piperidinium, 1,1-dimethyl-4-((3-methyl-1-oxo-2-phenylpentyl)oxy)-, methyl sulfate
  • Quilene
  • UNII-Y8B7PF4062

Systematic Names

  • Pentapiperium metilsulfate
  • Piperidinium, 1,1-dimethyl-4-((3-methyl-1-oxo-2-phenylpentyl)oxy)-, methyl sulfate
  • Piperidinium, 4-hydroxy-1,1-dimethyl-, methyl sulfate (salt), 3-methyl-2-phenylvalerate (8CI)

Registry Numbers

CAS Registry Number

  • 7681-80-3

FDA UNII

  • Y8B7PF4062

System Generated Number

  • 0007681803

Molecular Formulas

Molecular Formulas

  • C19-H30-N-O2.C-H3-O4-S
  • C20-H33-N-O6-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C19-H30-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

YGURFDXYQNOJCS-UHFFFAOYSA-M

Smiles

COS([O-])(=O)=O.C1CC(CC[N+]1(C)C)OC([C@@H]([C@@H](C)CC)c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 184, Pg. 287, 1970.
mouse LD50 intravenous 7500ug/kg (7.5mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 184, Pg. 287, 1970.
mouse LD50 oral 435mg/kg (435mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 184, Pg. 287, 1970.
rat LD50 intraperitoneal 88mg/kg (88mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 184, Pg. 287, 1970.
rat LD50 oral 720mg/kg (720mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 184, Pg. 287, 1970.
rat LD50 subcutaneous 800mg/kg (800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 184, Pg. 287, 1970.