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Substance Name: 3-(((Diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium
RN: 6033-07-4
InChIKey: XZOOJGGDVLOOFH-UHFFFAOYSA-M

Note

  • Diethyl analog of neostigmine used as internal standard for assay of neostigmine.

Molecular Formula

  • C14-H23-N2-O2.C-H3-O4-S

Molecular Weight

  • 362.444
 
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Names and Synonyms

Name of Substance

  • 3-(((Diethylamino)carbonyl)oxy)-N,N,N-trimethylbenzenaminium

Synonyms

  • (m-Hyydroxyphenyl)trimethylammonium methylsulfate diethylcarbamate
  • Ammonium, (3-(N',N'-diethylcarbamoyloxy)phenyl)trimethyl-, methylsulfate
  • AR-33
  • Carbamic acid, diethyl-, ester with (m-hydroxyphenyl)trimethylammonium methylsulfate
  • Carbamic acid, N,N-diethyl-, 3-(trimethylammonio)phenyl ester, methylsulfate
  • Diethylcarbamic ester of 3-oxyphenyltrimethylammonium methylsulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 6033-07-4

System Generated Number

  • 0006033074

Molecular Formulas

Molecular Formula

  • C14-H23-N2-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C14-H23-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H23N2O2.CH4O4S/c1-6-15(7-2)14(17)18-13-10-8-9-12(11-13)16(3,4)5;1-5-6(2,3)4/h8-11H,6-7H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

XZOOJGGDVLOOFH-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD80 intravenous 8mg/kg (8mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: COMA
National Technical Information Service. Vol. PB158-508,
mouse LDLo oral 71mg/kg (71mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 413, 1931.