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CHEBI:59719 - demarcarium

Default Structure
ChEBI IDCHEBI:59719
ChEBI Namedemarcarium
Stars
DefinitionThe bis(quaternary ammonium) dication obtained by N,N'-dimethylation of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H52N4O4
Net Charge+2
Average Mass556.792
Monoisotopic Mass556.39776
SMILESCN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1
InChIInChI=1S/C32H52N4O4/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/q+2
InChIKeyRWZVPVOZTJJMNU-UHFFFAOYSA-N
Roles Classification
Application:
antiglaucoma drug  Any drug which can be used to prevent or alleviate glaucoma, a disease in which the optic nerve is damaged, resulting in progressive, irreversible loss of vision. It is often, though not always, associated with increased pressure of the fluid in the eye.
ChEBI Ontology
Outgoing Relation(s)
demarcarium (CHEBI:59719) has role antiglaucoma drug (CHEBI:39456)
demarcarium (CHEBI:59719) is a carbamate ester (CHEBI:23003)
demarcarium (CHEBI:59719) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
demecarium bromide (CHEBI:4391) has part demarcarium (CHEBI:59719)
IUPAC Name 
3,3'-{decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium)
Synonyms  Source
demecariumChEMBL
DemecariumChEMBL
Demecarium cationChEMBL
Demecarium ionChEMBL
Manual XrefsDatabases
801DrugCentral
LSM-5622LINCS
Registry NumbersSources
Reaxys:3789785Reaxys
Citations