Butyrylthiocholine iodide
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Butyrylthiocholine iodide
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CAS No:
1866-16-6
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Formula:
C9H20NOS.I
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Chemical Name:
Butyrylthiocholine iodide
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Synonyms:
Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-,iodide (1:1);Ammonium,(2-mercaptoethyl)trimethyl-,iodide,butyrate;Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-,iodide;(2-Mercaptoethyl)trimethylammonium iodide,butyrate;Butyric acid,thio-,S-ester with (2-mercaptoethyl)trimethylammonium iodide;Butyrylthiocholine iodide;S-Butyrylthiocholine iodide;2-(Butyrylthio)-N,N,N-trimethylethanaminium iodide
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CAS No:
Description
A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Butyrylthiocholine iodide Use and Manufacturing
4 500 g (2.85 mol) of ethyl S-2-(dimethylamino)butyryl thiolate was dissolved in THF 3L. Under nitrogen protection, 485.6 g (3.42 mol) of methyl iodide was added dropwise, and the process was maintained at an internal temperature of 20-30 °C. After the completion of the dropwise addition, the reaction was allowed to stand overnight at room temperature. TLC showed the reaction was complete. Filtered, washed with THF, dried under reduced pressure at 30 ° C to give a white solidS-iodinated butyrylthiocholine 5 850 g, yield 94percent.
A chromogenic substrate for cholinesterases.
Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1:1): ACTIVE
Computed Properties
Molecular Weight:317.23
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:317.03103
Monoisotopic Mass:317.03103
Topological Polar Surface Area:42.4
Heavy Atom Count:13
Complexity:140
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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