HEXOCYCLIUM METHYLSULFATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 84OPZ2Q0VB
EPA CompTox DTXSID4023123

Structure

InChI Key NSILVESQCSUIAJ-UHFFFAOYSA-M
Smiles COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
InChI
InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H36N2O5S
Molecular Weight 428.6
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 23.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

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

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 5708
ChEMBL CHEMBL1626570
FDA SRS 84OPZ2Q0VB
PubChem 101587
SureChEMBL SCHEMBL25730
CONTENTS