EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31681 - Hyoscyamine methylbromide

Default Structure
ChEBI IDCHEBI:31681
ChEBI NameHyoscyamine methylbromide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaBr.C18H26NO3
Net Charge0
Average Mass384.314
Monoisotopic Mass383.10961
SMILES[Br-].[H][C@]12CC[C@]([H])(CC(OC(=O)[C@H](CO)c3ccccc3)C1)[N+]2(C)C
InChIInChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16?,17-;/m1./s1
InChIKeyXMLNCADGRIEXPK-SXMODBHXSA-M
ChEBI Ontology
Outgoing Relation(s)
Hyoscyamine methylbromide (CHEBI:31681) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Atropine methobromideKEGG COMPOUND
Atropine methylbromideKEGG COMPOUND
Hyoscyamine methylbromideKEGG COMPOUND
Manual XrefsDatabases
C13109KEGG COMPOUND
D01648KEGG DRUG
Registry NumbersSources
CAS:2870-71-5KEGG COMPOUND