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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1184
CHEMBL1184
Compound Name ACETYLCHOLINE CHLORIDE
ChEMBL Synonyms Acetylcholine | Miochol-E | ACETYLCHOLINE CHLORIDE FOR INJECTION | MIOCHOL | ACETYLCHOLINE CHLORIDE | MIPHTEL
Max Phase 4 (Approved)
Trade Names MIOCHOL | MIOCHOL-E | MIPHTEL
Molecular Formula C7H16ClNO2

Additional synonyms for CHEMBL1184 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1184

Molecule Features

CHEMBL1184 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M3 agonist Muscarinic acetylcholine receptor M3 ISBN PubMed

Clinical Data

ClinicalTrials.gov ACETYLCHOLINE CHLORIDE
The Cochrane Collaboration ACETYLCHOLINE CHLORIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
146.2 146.1176 0.26 3 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.4 -3.4 0 10 0.42

Structural Alerts

There are 4 structural alerts for CHEMBL1184. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUGOREOARAHOCO-UHFFFAOYSA-M
DailyMed acetylcholine chloride
PubChem SID: 11532873 SID: 170464783 SID: 26747837

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1184



ACToR 1784-29-8 60-31-1
Brenda 16324
ChEBI 2417
ChemicalBook CB9216208
eMolecules 474676 27515573
EPA CompTox Dashboard DTXSID5048978
FDA SRS AF73293C2R
Mcule MCULE-4295517590
MolPort MolPort-001-794-626
NIH Clinical Collection SAM002548945
NMRShiftDB 10016952
PubChem 6060
PubChem: Thomson Pharma 15171343
Selleck Acetylcholine-chloride
SureChEMBL SCHEMBL40885

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JUGOREOARAHOCO-UHFFFAOYSA-M spacer
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