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Substance Name: Ammonium, (2-hydroxy-5-tert-pentylphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
RN: 101710-54-7
InChIKey: BDKFYEGXJFVKET-UHFFFAOYSA-M

Molecular Formula

  • C17-H29-N2-O2.I

Molecular Weight

  • 420.328
 
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Names and Synonyms

Synonym

  • (2-Hydroxy-5-tert-pentylphenyl)trimethylammonium iodide dimethylcarbamate

Systematic Name

  • Ammonium, (2-hydroxy-5-tert-pentylphenyl)trimethyl-, iodide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 101710-54-7

System Generated Number

  • 0101710547

Molecular Formulas

Molecular Formula

  • C17-H29-N2-O2.I

Molecular Formula Fragments

  • C17-H29-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H29N2O2.HI/c1-17(2,3)12-13-9-10-14(19(6,7)8)15(11-13)21-16(20)18(4)5;/h9-11H,12H2,1-8H3;1H/q+1;/p-1

InChIKey

BDKFYEGXJFVKET-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 12mg/kg (12mg/kg)   Journal of the American Chemical Society. Vol. 63, Pg. 308, 1941.