PDND
Phytochemical Database for Neurological Disorders
search icon
Advanced search

Phytochemical Name : Acetylcholine
PCNDIDA0017
Pubchem CID : 187
Molecular formula: C7H16NO2+

Molecular weight : 146.210

Canonical SMILES : CC(=O)OCC[N+](C)(C)C

Synonymes : acetylcholine|Choline acetate|O-Acetylcholine|51-84-3|(2-Acetoxyethyl)trimethylammonium|Acetyl choline ion|Acetylcholinum|Choline acetate (ester)|Acetyl choline cation|Ach|Azetylcholin|2-(Acetyloxy)-N,N,N-trimethylethanaminium|Acetylcholine cation|2-acetyloxyethyl(trimethyl)azanium|ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-|CHEBI:15355|BRN 1764436|COL Acetate|UNII-N9YNS0M02X|EINECS 200-128-9|[3H]acetylcholine|N9YNS0M02X|Bromoacetylcholine|[2-(acetyloxy)ethyl]trimethylazanium|CHEMBL667|C7H16NO2|(2-Acetoxyethyl)trimetilammonium|DTXSID8075334|4-04-00-01446 (Beilstein Handbook Reference)|2-acetyloxy-N,N,N-trimethylethanaminium|2-acetyloxyethyl-trimethylazanium|ACETYLCHOLINE (USP IMPURITY)|ACETYLCHOLINE [USP IMPURITY]|NCGC00018123-05|2rin|3rqw|(14C)Acetylcholine|(14C)-Acetylcholine|Spectrum_000022|2ha4|2xz5|starbld0009701|Spectrum2_001258|Spectrum3_000286|Spectrum4_000136|Spectrum5_000762|D04GON|D0Q9HF|Epitope ID:176773|cid_6060|SCHEMBL3216|ACETYLCHOLINE [VANDF]|BSPBio_001792|GTPL294|KBioGR_000552|KBioSS_000382|DivK1c_000686|SPBio_001196|ACETYLCHOLINE [WHO-DD]|Acetylcholinium: acetyl-Choline|GTPL8593|DTXCID6040951|BDBM10759|KBio1_000686|KBio2_000382|KBio2_002950|KBio2_005518|KBio3_001292|NINDS_000686|HMS2089A14|C7-H16-N-O2|NSC800293|AKOS040734806|DB03128|NSC-800293|IDI1_000686|2-acetoxyethyl(trimethyl)ammonium;bromide|NCGC00018123-01|NCGC00018123-02|NCGC00018123-03|NCGC00018123-04|NCGC00021161-03|NCGC00021161-04|NCGC00163215-01|LS-53168|2-Acetoxy-N,N,N-trimethylethan-1-aminium|SBI-0051271.P003|2-acetoxyethyl(trimethyl)ammonium;perchlorate|CS-0453239|FT-0689161|ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl|C01996|AB00053790-25|AB00053790_26|AB00053790_27|L000783|Q180623|Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI)|2-(Acetyloxy)-N,N,N-trimethylethanaminium labeled with carbon-14|Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, labeled with carbon-14|14047-05-3

Structure
3D structure 2D structure
187
Predicted properties (NCBI Pubchem)

Physicochemical Properties