ACOTIAMIDE HYDROCHLORIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII NMW7447A9A

Structure

InChI Key NPTDXIXCQCFGKC-UHFFFAOYSA-N
Smiles COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl.O.O.O
InChI
InChI=1S/C21H30N4O5S.ClH.3H2O/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;;;;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H;3*1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H37ClN4O8S
Molecular Weight 541.07
AlogP 2.97
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 113.02
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR Other

Target Conservation

Protein: Acetylcholinesterase
Description: Acetylcholinesterase
Organism : Homo sapiens
P22303 ENSG00000087085

Cross References

Resources Reference
ChEMBL CHEMBL2107308
FDA SRS NMW7447A9A
PubChem 6918406
CONTENTS