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Substance Name: Choline, iodide, 1-hydroxy-alpha-phenylcyclopentaneacetate
RN: 110180-50-2
InChIKey: XTYPKXUALIKLCI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N-O3.I

Molecular Weight

  • 433.3232
 
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Names and Synonyms

  • Choline, iodide, 1-hydroxy-alpha-phenylcyclopentaneacetate

Registry Numbers

CAS Registry Number

  • 110180-50-2

System Generated Number

  • 0110180502

Molecular Formulas

Molecular Formula

  • C18-H28-N-O3.I

Molecular Formula Fragments

  • C18-H28-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H28NO3.HI/c1-19(2,3)13-14-22-17(20)16(15-9-5-4-6-10-15)18(21)11-7-8-12-18;/h4-6,9-10,16,21H,7-8,11-14H2,1-3H3;1H/q+1;/p-1

InChIKey

XTYPKXUALIKLCI-UHFFFAOYSA-M

Smiles

C[N+](C)(C)CCOC(=O)C(c1ccccc1)C2(CCCC2)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 141, 1952.
mouse LD50 intravenous 20mg/kg (20mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 141, 1952.