ACETYLCHOLINE CHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Salt
UNII: AF73293C2R
Parent Compound: ACETYLCHOLINE

Structure
InChI Key JUGOREOARAHOCO-UHFFFAOYSA-M
Smile CC(=O)OCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16ClNO2
Molecular Weight 181.66
AlogP 0.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Muscarinic acetylcholine receptor M3 agonist ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
220 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
45.83
Nervous system disorders
12.5
General disorders and administration site conditions
10.42
Injury, poisoning and procedural complications
10.42
Surgical and medical procedures
8.33
Immune system disorders
4.17
Product issues
4.17
Infections and infestations
2.08
Skin and subcutaneous tissue disorders
2.08

Cross References

Resources Reference
ChEBI 2417
ChEMBL CHEMBL1184
EPA CompTox DTXSID5048978
FDA SRS AF73293C2R
KEGG C01996
PDB ACH
PubChem 6060
SureChEMBL SCHEMBL40885
ZINC ZINC03079336
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