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Substance Name: Ammonium, (5-ethyl-2-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
RN: 102571-31-3
InChIKey: TWIPHKQUSQGTSH-UHFFFAOYSA-M

Molecular Formula

  • C14-H23-N2-O2.I

Molecular Weight

  • 378.248
 
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Names and Synonyms

Synonym

  • (5-Ethyl-2-hydroxyphenyl)trimethylammonium iodide dimethylcarbamate (ester)

Systematic Name

  • Ammonium, (5-ethyl-2-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 102571-31-3

System Generated Number

  • 0102571313

Molecular Formulas

Molecular Formula

  • C14-H23-N2-O2.I

Molecular Formula Fragments

  • C14-H23-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H23N2O2.HI/c1-7-11-8-9-13(18-14(17)15(2)3)12(10-11)16(4,5)6;/h8-10H,7H2,1-6H3;1H/q+1;/p-1

InChIKey

TWIPHKQUSQGTSH-UHFFFAOYSA-M

Smiles

c1(c(cc(CC)cc1)[N+](C)(C)C)OC(N(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1250ug/kg (1.25mg/kg)   Journal of the American Chemical Society. Vol. 63, Pg. 308, 1941.