Molecular Identity
acetylcholine
2-acetyloxyethyl(trimethyl)azanium
PubChem CID: 187
Acetylcholine is actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. It has a role as a hormone, a neurotransmitter, a vasodilator agent, a muscarinic agonist, a mouse metabolite and a human metabolite. It is an acylcholine and an acetate ester.
2D Structure
Properties
C7H16NO2+
Molecular Formula
146.21
Molecular Weight
g/mol
146.1181
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
26.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
115
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
acetylcholine51-84-3O-AcetylcholineCholine acetate (ester)2-acetyloxyethyl(trimethyl)azanium2-(Acetyloxy)-N,N,N-trimethylethanaminiumethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-N9YNS0M02XCHEBI:15355[2-(acetyloxy)ethyl]trimethylazanium2-acetyloxyethyl-trimethylazaniumDTXSID8075334(2-(acetyloxy)ethyl)trimethylazaniumCusi, AcetilcolinaFluoride, Acetylcholine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to acetylcholine
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