General Information of the Compound
| Compound ID |
CP0000324
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| Compound Name |
2-acetoxyethyl(trimethyl)ammonium;bromide
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| Synonyms |
Miochol
(2-Acetoxyethyl)trimethylammonium
2-(Acetyloxy)-N,N,N-trimethylethanaminium
2-acetyloxyethyl-trimethylazanium
51-84-3
Acetyl choline cation
Acetyl choline ion
Acetylcholine
Acetylcholinum
Ach
Azetylcholin
BRN 1764436
Bromoacetylcholine
CHEBI:15355
CHEMBL667
Choline acetate
Choline acetate (ester)
EINECS 200-128-9
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI)
Miochol-e
N9YNS0M02X
O-Acetylcholine
UNII-N9YNS0M02X
[2-(acetyloxy)ethyl]trimethylazanium
[3H]acetylcholine
acetylcholine
ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-
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| Structure |
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| Formula |
C7H16NO2+
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| Molecular Weight |
146.21
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| Canonical SMILES |
CC(=O)OCC[N+](C)(C)C
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| InChI |
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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| InChIKey |
OIPILFWXSMYKGL-UHFFFAOYSA-N
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| CAS |
51-84-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Clinical Information about the Compound