Choline acetate (ester) 2-乙酰氧基-N,N,N-三甲基乙烷-1-胺

CAS 51-84-3 MFCD00051843

化学结构图

51-84-3
SMILES: CC(=O)OCC[N+](C)(C)C

化学属性

Mol. FormulaC7H16NO2+
Mol. Weight146.21
Boiling Point265.84 °C at 760 mmHg

别名和识别编码

Wiswesser Line Notation1VO2K1&1&1 &Q
Chemical NameCholine acetate (ester)
Synonym Acetylcholine {LY} Acetylcholine {} {LY} Acetylcholine {} {} {LY} Acetylcholine {} {} {} {LY} Acetylcholine {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylcholine {} {} {} {} {} {} {} {} {} {} {} {
CAS Number51-84-3
Beilstein Registry Number1764436
Chemical Name Translation2-乙酰氧基-N,N,N-三甲基乙烷-1-胺
Chemicalbook IDCB0895802
LabNetwork Molecule IDLN00239978
PubChem Substance ID187
InChIInChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Canonical SMILESCC(=O)OCC[N+](C)(C)C
MDL NumberMFCD01732002
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安全信息

RTECSFZ9700000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes,
   C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973
   Volume(issue)/page/year: -,39,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 pe

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 80,171,1944

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes,
   C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973
   Volume(issue)/page/year: -,29,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 11 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATXKA8 Archiv fuer Toxikologie.  (Berlin, Fed. Rep. Ger.)  V.15-31, 1954-74.
    For publisher information, see ARTODN.  Volume(issue)/page/year: 29,39,1972

TYPE

Storage condition

系列性分类

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