DEMECARIUM BROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 61D5V4OKTP

Structure

InChI Key YHKBUDZECQDYBR-UHFFFAOYSA-L
Smiles CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]
InChI
InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H52Br2N4O4
Molecular Weight 716.6
AlogP 6.76
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 15.0
Polar Surface Area 59.08
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR PubMed

Target Conservation

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

Cross References

Resources Reference
ChEBI 4391
ChEMBL CHEMBL1200514
FDA SRS 61D5V4OKTP
PharmGKB PA164745610
PubChem 5965
SureChEMBL SCHEMBL34283
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