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HomeProduct name listS-Butyrylthiocholine Iodide

S-Butyrylthiocholine Iodide

Synonym(s):(2-Mercaptoethyl)trimethylammonium iodide butyrate;S-Butyrylthiocholine Iodide - CAS 1866-16-6 - Calbiochem

  • CAS NO.:1866-16-6
  • Empirical Formula: C9H20INOS
  • Molecular Weight: 317.23
  • MDL number: MFCD00011845
  • EINECS: 217-475-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-03-18 10:50:42
S-Butyrylthiocholine Iodide Structural

What is S-Butyrylthiocholine Iodide?

Chemical properties

WHITE CRYSTALS OR CRYSTALLINE POWDER

The Uses of S-Butyrylthiocholine Iodide

S-Butyrylthiocholine Iodide is a chromogenic substrate for AChE(cholinesterases) and BChE(cholinesterases). Cleavage is measured colorimetrically at 405 nm.

The Uses of S-Butyrylthiocholine Iodide

A chromogenic substrate for cholinesterases.

What are the applications of Application

S-Butyrylthiocholine Iodide is a chromogenic substrate for cholinesterases

Synthesis

Ethyl S-2-(dimethylamino)butyryl thiolate was dissolved in THF 3L. Under nitrogen protection, 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, and dried under reduced pressure at 30 ° C to give a white solidS-iodinated butyrylthiocholine.
S-BUTYRYLTHIOCHOLINE IODIDE

Purification Methods

Recrystallise S-butyryl thiocholine iodide from propan-1-ol and dry it in vacuo; store it in the dark under N2. The bromide has m 150o (from Me2CO) or m 140-143o (from butan-1-ol). [Gillis Chem Ind (London) 111 1957, Hansen Acta Chem Scand 11 537 1957, Beilstein 4 IV 1586.]

Properties of S-Butyrylthiocholine Iodide

Melting point: 171-174 °C(lit.)
Density  1.3969 (estimate)
storage temp.  -20°C
form  Crystals or Crystalline Powder
color  White
Water Solubility  almost transparency
Sensitive  Air & Moisture Sensitive & Hygroscopic
BRN  3729509
InChI InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
CAS DataBase Reference 1866-16-6(CAS DataBase Reference)
EPA Substance Registry System Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1866-16-6)

Safety information for S-Butyrylthiocholine Iodide

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for S-Butyrylthiocholine Iodide

InChIKey WEQAAFZDJROSBF-UHFFFAOYSA-M
SMILES C(CSC(=O)CCC)[N+](C)(C)C.[I-]

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