SCOPOLAMINE

Search structure
Synonyms:
Status: Approved (1979)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A04AD01
UNII: DL48G20X8X

Structure
InChI Key STECJAGHUSJQJN-ODICJLLRSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 2 D010146 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials
Renal Colic 1 D056844 ClinicalTrials
Phobia, Social 1 D000072861 ClinicalTrials
Dementia 1 D003704 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 16794
ChEMBL CHEMBL569713
DrugBank DB00747
EPA CompTox DTXSID6023573
FDA SRS DL48G20X8X
Human Metabolome Database HMDB0003573
Guide to Pharmacology 330
SureChEMBL SCHEMBL16226
ZINC ZINC000100037020
CONTENTS