S-Butyrylthiocholine iodide - CAS 1866-16-6
Catalog: |
BB014355 |
Product Name: |
S-Butyrylthiocholine iodide |
CAS: |
1866-16-6 |
Synonyms: |
2-butanoylsulfanylethyl(trimethyl)azanium;iodide |
IUPAC Name: | 2-butanoylsulfanylethyl(trimethyl)azanium;iodide |
Description: | S-Butyrylthiocholine iodide (CAS# 1866-16-6) is used as a chromogenic substrate for cholinesterases. |
Molecular Weight: | 317.23 |
Molecular Formula: | C9H20INOS |
Canonical SMILES: | CCCC(=O)SCC[N+](C)(C)C.[I-] |
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 |
InChI Key: | WEQAAFZDJROSBF-UHFFFAOYSA-M |
Purity: | > 99.0 % (T) |
Appearance: | White crystals or crystalline powder |
MDL: | MFCD00011845 |
LogP: | -1.24350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
25450746 | 20150201 | Adaptation of a dynamic in vitro model with real-time determination of butyrylcholinesterase activity in the presence of cyclosarin and an oxime | Toxicology in vitro : an international journal published in association with BIBRA |
23279886 | 20130325 | The significance of low substrate concentration measurements for mechanistic interpretation in cholinesterases | Chemico-biological interactions |
22889087 | 20121001 | The proline-rich tetramerization peptides in equine serum butyrylcholinesterase | The FEBS journal |
22470503 | 20120101 | Characterization of cholinesterases in plasma of three Portuguese native bird species: application to biomonitoring | PloS one |
21818304 | 20110101 | ENZO: a web tool for derivation and evaluation of kinetic models of enzyme catalyzed reactions | PloS one |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.03103 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.03103 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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