ATROPINE SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 03J5ZE7KA5
Parent Compound: ATROPINE

Structure
InChI Key VJFQPODMEGSXHC-RIMUKSHESA-N
Smile CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O
InChI
InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t13-,14+,15+,16?;

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25NO7S
Molecular Weight 387.45
AlogP 1.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 15.2
Enzyme Transferase
- - - - 4.502
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -31.39--5.95

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myopia 3 D009216 ClinicalTrials
Organophosphate Poisoning 2 D062025 ClinicalTrials
Postoperative Complications 1 D011183 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
16.27
General disorders and administration site conditions
13.73
Injury, poisoning and procedural complications
13.73
Vascular disorders
13.39
Nervous system disorders
10.34
Respiratory, thoracic and mediastinal disorders
9.49
Eye disorders
6.61
Psychiatric disorders
6.27
Investigations
2.37
Gastrointestinal disorders
2.2

Cross References

Resources Reference
ChEMBL CHEMBL2146146
FDA SRS 03J5ZE7KA5
SureChEMBL SCHEMBL31132
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