Basic information
- CAS
3922-86-9- Standard SMILES
CCCC(=O)OCC[N+](C)(C)C- InChIKey
YRIBGSCJIMXMPJ-UHFFFAOYSA-N- Molecular formula
- C9H20NO2+
- Average molar mass
- 174.26 g/mol
- Monoisotopic mass
- 174.14940388
Overview
Butyrylcholine is an acylcholine.
Names & identifiers
- Preferred name
- Butyrylcholine
- IUPAC
- 2-butanoyloxyethyl(trimethyl)azanium
- English name
- butyrylcholine
- Molecular weight
- 0
Names & synonyms
butyrylcholine3922-86-9N,N,N-Trimethyl-2-(1-oxobutoxy)ethanaminiumEthanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-BCD8KEA5TE[2-(butanoyloxy)ethyl]trimethylazaniumDTXSID10959994(2-(butanoyloxy)ethyl)trimethylazaniumRefChem:122380DTXCID902015442-butanoyloxyethyl(trimethyl)azaniumCHEMBL342902
Show more names
Choline butyrateBA 51090059BA 51 090059BA-51-0900592-Butyryloxy-N,N,N-trimethylethanaminium2-(Butyryloxy)-N,N,N-trimethylethanaminium
2-(Butyryloxy)-N,N,N-trimethylethan-1-aminiumCHEMBL147380Choline, butyrate (ester)SR-01000003028BA 51-090059SCHEMBL290052orb1697995Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)- (9CI)
Database identifiers
- CAS
3922-86-9- PubChem CID
- 17233
- DTXSID
DTXSID10959994- ChEMBL
CHEMBL147380、CHEMBL342902- ChEBI
CHEBI:196010- UNII
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 138
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physical DescriptionSolid
Chemistry & industry
Applications
DescriptionButyrylcholine, produced by the colonic epithelium, is a novel regulator of colonic ion transport that stimulates both nicotinic and muscarinic receptors.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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