Acetylthiocholine iodide

HCID 74629

Basic information

CAS
1866-15-5
Standard SMILES
CC(=O)SCC[N+](C)(C)C.[I-]
InChIKey
NTBLZMAMTZXLBP-UHFFFAOYSA-M
Molecular formula
C7H16INOS
Average molar mass
289.18 g/mol
Monoisotopic mass
288.99973

Names & identifiers

Preferred name
Acetylthiocholine iodide
IUPAC
2-acetylsulfanylethyl(trimethyl)azanium iodide
English name
Acetylthiocholine iodide
Molecular formula
C7H16INOS
Molecular weight
289.18

Names & synonyms

Acetylthiocholine iodide1866-15-5S-Acetylthiocholine iodide2-Acetylthioethyltrimethylammonium iodide6SKH6P4YRNNSC-44139Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)DTXSID50883764RefChem:109203DTXCID701023254217-474-1Acetylthiocholine diiodide
Show more names
Acetylthiocholine ioAcetylthiocholinjodidacetylthiocholine iodieKamovsky-roots solutionIodine thioacetylcholineIodide thioacetylcholines-acetylthio-choliniodideacetylthiocholinediiodideacethylthiocholine iodide
Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodideMFCD000118192-(Acetylthio)-N,N,N-trimethylethanaminium iodideC7H16INOSNSC 44139(2-Mercaptoethyl)trimethylammonium iodide acetate((2-Mercaptoethyl)trimethylammonium iodide acetate)2-(Acetylthio)-N,N,N-trimethylethan-1-aminium iodide

Database identifiers

CAS
1866-15-5
PubChem CID
74629
DTXSID
DTXSID50883764
UNII
6SKH6P4YRN
EC Number
217-474-1

Properties

Computed structural properties

Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Melting point
205 · 205-210 °C(lit.)
Density
1.4885 · 1.4885 (estimate)
storage temp.
2 · 2-8°C
solubility
2 O: · H2O: 100 mg/mL
form
powder
color
white

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.9%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide

2-Acetylthioethyltrimethylammonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%);Acute Tox. 3 (97.9%);Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);STOT SE 3 (95.8%)

Regulatory information

Regulatory Information · 2 items

Chemical: Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide

2-Acetylthioethyltrimethylammonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
3-8-10
PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
rtecs
FZ9865000
ridadr
UN 2811 6.1/PG 3

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1): ACTIVE
Applications · 4 items

DescriptionAcetylthiocholine iodide, also known as ATCI, serves as both an acetylcholinesterase (AChE) substrate and a nicotinic acetylcholine receptor (AChR) agonist. ATCI itself is a colorless and odorless compound. It exhibits solubility in both water and ethanol. It is a synthetic compound extensively employed in laboratory experiments to measure the activity of AChE, a vital enzyme responsible for the breakdown of the neurotransmitter acetylcholine (ACh) in the central and peripheral nervous systems. Additionally, it enables the evaluation of drug effects on AChE activity and facilitates investigations into the impact of toxins on the nervous system. Acetylthiocholine iodide functions as an inhibitor of AChE. By binding to the enzyme′s active site, it prevents AChE from catalyzing the breakdown of ACh. Consequently, ACh accumulates in the synaptic cleft, leading to increased neuron excitability. This inhibition of AChE by ATCI ultimately results in a higher ACh concentration within the synaptic cleft, yielding a range of physiological effects. These effects encompass heightened muscle contraction, increased heart rate and blood pressure, elevated salivation, intensified bronchial secretions, and augmented gastrointestinal activity[1].

UsesA nAChR agonist and substrate of acetylcholinesterase

UsesAcetylthiocholine iodide has been used as a substrate in the preparation of acetylcholine esterase (AChE) assay working solution for AChE activity assay. It has also been used as a component in phosphate buffer (PB) for cholinesterase assay.

UsesSubstrate for the colorimetric determination of acetylcholinesterase activity.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]

Related reactions

2 records

Compound notes

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