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CHEBI:31309 - Brovincamine fumarate

ChEBI IDCHEBI:31309
ChEBI NameBrovincamine fumarate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC21H25BrN2O3.C4H4O4
Net Charge0
Average Mass549.418
Monoisotopic Mass548.11581
SMILESO=C(O)/C=C/C(=O)O.[H][C@@]12c3c4c5ccc(Br)cc5n3[C@@](O)(C(=O)OC)C[C@]1(CC)CCCN2CC4
InChIInChI=1S/C21H25BrN2O3.C4H4O4/c1-3-20-8-4-9-23-10-7-15-14-6-5-13(22)11-16(14)24(17(15)18(20)23)21(26,12-20)19(25)27-2;5-3(6)1-2-4(7)8/h5-6,11,18,26H,3-4,7-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,20+,21+;/m1./s1
InChIKeyCKCVTPQYFOMHFD-HPJCWFBOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Brovincamine fumarate (CHEBI:31309) is a alkaloid (CHEBI:22315)
Synonyms  Source
Brovincamine fumarateKEGG COMPOUND
Brovincamine hydogen fumurateKEGG COMPOUND
Sabromin (TN)KEGG COMPOUND
Manual XrefsDatabases
D01656KEGG DRUG
Registry NumbersSources
CAS:84964-12-5KEGG COMPOUND