CHEBI:31681 - Hyoscyamine methylbromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Hyoscyamine methylbromide
ChEBI ID CHEBI:31681
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H26NO3.Br
Net Charge 0
Average Mass 384.308
Monoisotopic Mass 383.10961
InChI InChI=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
InChIKey XMLNCADGRIEXPK-SXMODBHXSA-M
SMILES [Br-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
ChEBI Ontology
Outgoing Hyoscyamine methylbromide (CHEBI:31681) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Atropine methobromide KEGG COMPOUND
Atropine methylbromide KEGG COMPOUND
Hyoscyamine methylbromide KEGG COMPOUND
Manual Xrefs Databases
C13109 KEGG COMPOUND
D01648 KEGG DRUG
View more database links
Registry Number Type Source
2870-71-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014