CHEBI:31327 - Butropium bromide

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ChEBI Name Butropium bromide
ChEBI ID CHEBI:31327
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C28H38NO4
C28H38NO4.Br
Net Charge +1
Average Mass 452.607
Monoisotopic Mass 452.27954
InChI InChI=1S/C28H38NO4/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3/q+1/t23-,24+,26-,27-,29?/m1/s1
InChIKey ALVDDLOWVXJXCD-JZDGNOGPSA-N
SMILES C([N+]1(C)[C@@H]2C[C@@H](C[C@H]1CC2)OC([C@H](CO)C3=CC=CC=C3)=O)C4=CC=C(C=C4)OCCCC
ChEBI Ontology
Outgoing Butropium bromide (CHEBI:31327) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Butropium bromide KEGG COMPOUND
butropium bromide DrugCentral
coliopan DrugCentral
Manual Xrefs Databases
456 DrugCentral
D01491 KEGG DRUG
View more database links
Registry Number Type Source
29025-14-7 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017