BCH

2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM

Created:	2003-04-17
Last modified:	2021-03-01

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2 entries where BCH is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	32
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM
Synonyms	BUTYRYLTHIOCHOLINE
Systematic Name (OpenEye OEToolkits)	2-butanoylsulfanylethyl-trimethyl-azanium
Formula	C₉ H₂₀ N O S
Molecular Weight	190.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(SCC[N+](C)(C)C)CCC
SMILES	CACTVS	3.341	CCCC(=O)SCC[N+](C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CCCC(=O)SCC[N+](C)(C)C
Canonical SMILES	CACTVS	3.341	CCCC(=O)SCC[N+](C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC(=O)SCC[N+](C)(C)C
InChI	InChI	1.03	InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
InChIKey	InChI	1.03	AWBGQVBMGBZGLS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04250
Name	Butyrylthiocholine
Groups	experimental
Description	A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. [PubChem]
Synonyms	Butyrylthiocholine
Categories	Amines Cholinesterase substrates Onium Compounds Quaternary Ammonium Compounds Sulfhydryl Compounds Sulfur Compounds Thiocholine Trimethyl Ammonium Compounds

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown	substrate
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682