SCOPOLAMINE

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Synonyms
Status
Molecule Category Free-form
ATC A04AD01 N05CM05 S01FA02
UNII DL48G20X8X
EPA CompTox DTXSID6023573

Structure

InChI Key STECJAGHUSJQJN-FWXGHANASA-N
Smiles CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
InChI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21NO4
Molecular Weight 303.36
AlogP 0.92
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 62.3
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST ISBN PubMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539

Cross References

Resources Reference
ChEBI 16794
ChEMBL CHEMBL569713
DrugBank DB00747
FDA SRS DL48G20X8X
Human Metabolome Database HMDB0003573
Guide to Pharmacology 330
SureChEMBL SCHEMBL16226
ZINC ZINC000100037020
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