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CHEBI:7457 - Nalmefene

ChEBI IDCHEBI:7457
ChEBI NameNalmefene
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILESC=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIInChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
InChIKeyWJBLNOPPDWQMCH-MBPVOVBZSA-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)
Nalmefene (CHEBI:7457) is a morphinane alkaloid (CHEBI:25418)
Synonyms  Source
NalmefeneKEGG COMPOUND
nalmefene HClDrugCentral
nalmetreneDrugCentral
6-desoxy-6-methylenenaltrexoneDrugCentral
nalmefene hydrochloride dihydrateDrugCentral
ORF-11676DrugCentral
Manual XrefsDatabases
C08027KEGG COMPOUND
D05111KEGG DRUG
LSM-6644LINCS
1876DrugCentral
Registry NumbersSources
CAS:55096-26-9KEGG COMPOUND