EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179557 - neostigmine bromide

ChEBI IDCHEBI:179557
ChEBI Nameneostigmine bromide
Stars
DefinitionThe bromide salt of neostigmine.
Secondary ChEBI IDCHEBI:7515
Last Modified24 September 2014
DownloadsMolfile
FormulaBr.C12H19N2O2
Net Charge0
Average Mass303.200
Monoisotopic Mass302.06299
SMILESCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]
InChIInChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
InChIKeyLULNWZDBKTWDGK-UHFFFAOYSA-M
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
neostigmine bromide (CHEBI:179557) has part neostigmine (CHEBI:7514)
neostigmine bromide (CHEBI:179557) is a bromide salt (CHEBI:22925)
IUPAC Name 
3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
INNs  Source
bromure de neostigmineChemIDplus
bromuro de neostigminaChemIDplus
neostigmini bromidumChemIDplus
neostigmine bromideChemIDplus
Synonyms  Source
(m-Hydroxyphenyl)trimethylammonium bromide dimethylcarbamateChemIDplus
3-Dimethylcarbamoxyphenyl trimethyl ammonium bromideChemIDplus
3-Hydroxyphenyltrimethylammonium bromide dimethylcarbamic esterChemIDplus
Eustigmin bromideChemIDplus
Kirkstigmine bromideChemIDplus
Leostigmine bromideChemIDplus
Manual XrefsDatabases
C08197KEGG COMPOUND
D00995KEGG DRUG
NeostigmineWikipedia
Registry NumbersSources
Beilstein:3640678Beilstein
Reaxys:3640678Reaxys
CAS:114-80-7ChemIDplus
Citations