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Substance Name: Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-propyl-, hydrogen sulfate
RN: 7387-97-5
InChIKey: IEZQRZSRUNDSNP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N-O.H-O4-S

Molecular Weight

  • 449.608
 
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Names and Synonyms

Synonym

  • 1-(1-((2-Benzylphenoxy)methyl)ethyl)-1-propylpiperidinium hydrogen sulfate

Systematic Name

  • Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-propyl-, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 7387-97-5

System Generated Number

  • 0007387975

Molecular Formulas

Molecular Formula

  • C24-H34-N-O.H-O4-S

Molecular Formula Fragments

  • C24-H34-N-O
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C24H34NO.H2O4S/c1-3-16-25(17-10-5-11-18-25)21(2)20-26-24-15-9-8-14-23(24)19-22-12-6-4-7-13-22;1-5(2,3)4/h4,6-9,12-15,21H,3,5,10-11,16-20H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

IEZQRZSRUNDSNP-UHFFFAOYSA-M

Smiles

[N+]1(CCC)([C@@H](COc2c(cccc2)Cc2ccccc2)C)CCCCC1.OS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.