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
- External Links
- PubChem Compound
- 5965
- ChemSpider
- 5750
- ChEBI
- 4391
- ChEMBL
- CHEMBL1200514
- PharmGKB
- PA164745610
- Wikipedia
- Demecarium_bromide
- Predicted Properties
Property Value Source Water Solubility 1.44e-05 mg/mL ALOGPS logP -0.62 ALOGPS logP -1.4 Chemaxon logS -7.7 ALOGPS Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 59.08 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 185.71 m3·mol-1 Chemaxon Polarizability 67.59 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon