Demecarium bromideProduct ingredient for Demecarium

Name
Demecarium bromide
Drug Entry
Demecarium

Demecarium is an indirect-acting parasympathomimetic agent that is used to treat glaucoma. It is a cholinesterase inhibitor or an anticholinesterase. Cholinesterase inhibitors prolong the effect of acetylcholine, which is released at the neuroeffector junction of parasympathetic postganglion nerves, by inactivating the cholinesterases that break it down. Demecarium inactivates both pseudocholinesterase and acetylcholinesterase. In the eye, this causes constriction of the iris sphincter muscle (causing miosis) and the ciliary muscle. The outflow of the aqueous humor is facilitated, which leads to a reduction in intraocular pressure.

Accession Number
DBSALT000567
Structure
Synonyms
Not Available
UNII
61D5V4OKTP
CAS Number
56-94-0
Weight
Average: 716.588
Monoisotopic: 714.235531466
Chemical Formula
C32H52Br2N4O4
InChI Key
YHKBUDZECQDYBR-UHFFFAOYSA-L
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
IUPAC Name
N,N,N-trimethyl-3-{[methyl({10-[methyl({[3-(trimethylazaniumyl)phenoxy]carbonyl})amino]decyl})carbamoyl]oxy}anilinium dibromide
SMILES
[Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
PubChem Compound
5965
ChemSpider
5750
ChEBI
4391
ChEMBL
CHEMBL1200514
PharmGKB
PA164745610
Wikipedia
Demecarium_bromide
Predicted Properties
PropertyValueSource
Water Solubility1.44e-05 mg/mLALOGPS
logP-0.62ALOGPS
logP-1.4Chemaxon
logS-7.7ALOGPS
Physiological Charge2Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area59.08 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity185.71 m3·mol-1Chemaxon
Polarizability67.59 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon