DEMECARIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 61D5V4OKTP

Structure
InChI Key YHKBUDZECQDYBR-UHFFFAOYSA-L
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 15.0
Polar Surface Area 59.08
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor PubMed

Related Entries

Scaffolds

Cross References

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