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
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.
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) |
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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