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Substance Name: Choline, iodide, o-nitrobenzoate
RN: 21106-19-4
InChIKey: WIOPEWOJTQGLRN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N2-O4.I

Molecular Weight

  • 380.176
 
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Names and Synonyms

Synonym

  • o-Nitrobenzoylcholine iodide

Systematic Names

  • Choline, iodide, o-nitrobenzoate
  • Ethanaminium, N,N,N-trimethyl-2-((2-nitrobenzoyl)oxy)-, iodide (9CI)

Registry Numbers

CAS Registry Number

  • 21106-19-4

System Generated Number

  • 0021106194

Molecular Formulas

Molecular Formula

  • C12-H17-N2-O4.I

Molecular Formula Fragments

  • C12-H17-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H17N2O4.HI/c1-14(2,3)8-9-18-12(15)10-6-4-5-7-11(10)13(16)17;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1

InChIKey

WIOPEWOJTQGLRN-UHFFFAOYSA-M

Smiles

C(COC(c1c(cccc1)[N+](=O)[O-])=O)[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 92mg/kg (92mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archives Internationales de Pharmacodynamie et de Therapie. Vol. 176, Pg. 443, 1968.