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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12587
CHEMBL12587
Compound Name MUSCARINE
ChEMBL Synonyms Muscarin | L-(+)-muscarine | Muscarine Chloride
Max Phase 0
Trade Names
Molecular Formula C9H20NO2

Additional synonyms for CHEMBL12587 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Standard InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6 ...
Download InChI
Standard InChI Key UQOFGTXDASPNLL-XHNCKOQMSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL12587. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL12587

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
174.3 174.1494 -1.39 2 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.95 - -4.34 -4.34 0 12 0.52

Compound Cross References

ChemSpider ChemSpider:UQOFGTXDASPNLL-XHNCKOQMSA-N
PubChem SID: 11111401 SID: 90341763
Wikipedia Muscarine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12587



ACToR 300-54-9
BindinDB 50336544 50006243
FDA SRS 7T101UWZ5W
Guide to Pharmacology 3996
IBM Patent System F134EB8F19DCAC00419CB8C844BB341B
IBM Patents US20080241255
KEGG Ligand C07473
Nikkaji J13.471F
PubChem 9308
PubChem: Thomson Pharma 16472328
SureChEMBL SCHEMBL79530
ZINC ZINC02516022

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UQOFGTXDASPNLL-XHNCKOQMSA-N spacer
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