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Substance Name: Piperidinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1-methyl-, iodide
RN: 33512-76-4
InChIKey: ZTTJIUJOAPZGJZ-UHFFFAOYSA-M

Molecular Formula

  • C18-H36-N-O2.I

Molecular Weight

  • 425.387
 
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Names and Synonyms

Synonyms

  • 1-(2-(2,2,4,4-Tetramethylvaleryloxy)propyl)-1-methylpiperidinium iodide
  • 3-Piperidinopropyl 2,2,4,4-tetramethylvalerate methiodide
  • Valeric acid, 2,2,4,4-tetramethyl-, 3-piperidinopropyl ester, methiodide

Systematic Name

  • Piperidinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 33512-76-4

System Generated Number

  • 0033512764

Molecular Formulas

Molecular Formula

  • C18-H36-N-O2.I

Molecular Formula Fragments

  • C18-H36-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H36NO2.HI/c1-17(2,3)15-18(4,5)16(20)21-14-10-13-19(6)11-8-7-9-12-19;/h7-15H2,1-6H3;1H/q+1;/p-1

InChIKey

ZTTJIUJOAPZGJZ-UHFFFAOYSA-M

Smiles

[IH-].C(OC(=O)C(CC(C)(C)C)(C)C)CC[N+]1(CCCCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 117mg/kg (117mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 131, 1971.