Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate
RN: 64051-12-3
InChIKey: GBBOJPNOIYMNRZ-UHFFFAOYSA-M

Molecular Formula

  • C11-H16-N-O2.C-H3-O4-S

Molecular Weight

  • 305.349
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-Acetoxyphenyl trimethylammonium methylsulfate
  • Acetic acid, (m-trimethylammonio)phenyl ester, methylsulfate
  • Acetylester der 3-oxyphenyltrimethylammoniummethylsulfat
  • Acetylester der 3-oxyphenyltrimethylammoniummethylsulfat [German]
  • Ammonium, (m-acetoxyphenyl)trimethyl-, methylsulfate
  • NU 2017

Systematic Name

  • Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, acetate

Registry Numbers

CAS Registry Number

  • 64051-12-3

System Generated Number

  • 0064051123

Molecular Formulas

Molecular Formula

  • C11-H16-N-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C11-H16-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C11H16NO2.CH4O4S/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4;1-5-6(2,3)4/h5-8H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

GBBOJPNOIYMNRZ-UHFFFAOYSA-M

Smiles

c1(cc(ccc1)[N+](C)(C)C)OC(C)=O.S(OC)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intramuscular 5700ug/kg (5.7mg/kg) PERIPHERAL NERVE AND SENSATION: FASCICULATIONS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 190, 1949.
cat LD50 intravenous 1400ug/kg (1.4mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

PERIPHERAL NERVE AND SENSATION: FASCICULATIONS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 190, 1949.
mouse LDLo intravenous 8mg/kg (8mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 413, 1931.
mouse LDLo oral 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 413, 1931.
rabbit LDLo intravenous 150ug/kg (0.15mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 193, Pg. 292, 1939.