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Substance Name: Piperidinium, 4-benzoxy-4-phenyl-5-(trimethylammoniomethyl)-1,1,2,5-tetramethyl-, diiodide
RN: 28060-59-5
InChIKey: IWMPHEKLWLPNKR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H37-N2-O2.2I

Molecular Weight

  • 664.398
 
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Names and Synonyms

Synonym

  • 4-Benzoxy-4-phenyl-5-(trimethylammoniomethyl)-1,1,2,5-tetramethylpiperidinium, diiodide

Systematic Name

  • Piperidinium, 4-benzoxy-4-phenyl-5-(trimethylammoniomethyl)-1,1,2,5-tetramethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 28060-59-5

System Generated Number

  • 0028060595

Molecular Formulas

Molecular Formula

  • C26-H37-N2-O2.2I

Molecular Formula Fragments

  • C26-H37-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H38N2O2.2HI/c1-21-18-26(23-16-12-9-13-17-23,30-24(29)22-14-10-8-11-15-22)25(2,19-27(3,4)5)20-28(21,6)7;;/h8-17,21H,18-20H2,1-7H3;2*1H/q+2;;/p-2

InChIKey

IWMPHEKLWLPNKR-UHFFFAOYSA-L

Smiles

C(=O)(O[C@@]1(C[C@@H]([N+](C[C@@]1(C)C[N+](C)(C)C)(C)C)C)c1ccccc1)c1ccccc1.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 91mg/kg (91mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 108, 1974.