NEOSTIGMINE METHYLSULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 98IMH7M386
Parent Compound: NEOSTIGMINE

Structure
InChI Key OSZNNLWOYWAHSS-UHFFFAOYSA-M
Smile CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]
InChI
InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H22N2O6S
Molecular Weight 334.39
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 19-69100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Snoring 0 D012913 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
27.16
General disorders and administration site conditions
20.74
Vascular disorders
12.1
Respiratory, thoracic and mediastinal disorders
8.89
Injury, poisoning and procedural complications
8.64
Nervous system disorders
8.4
Investigations
5.43
Musculoskeletal and connective tissue disorders
2.22

Cross References

Resources Reference
ChEBI 7516
ChEMBL CHEMBL211471
EPA CompTox DTXSID40199003
FDA SRS 98IMH7M386
KEGG C08200
PubChem 5824
SureChEMBL SCHEMBL41903
ZINC ZINC00001792
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