CHEBI:7457 - Nalmefene

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ChEBI Name Nalmefene
ChEBI ID CHEBI:7457
Stars This entity has been manually annotated by a third party.
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Formulae C21H25NO3
C21H25NO3
Net Charge 0
Average Mass 339.429
Monoisotopic Mass 339.183
InChI InChI=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
InChIKey WJBLNOPPDWQMCH-MBPVOVBZSA-N
SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nalmefene (CHEBI:7457) is a morphinane alkaloid (CHEBI:25418)
Synonyms Sources
6-desoxy-6-methylenenaltrexone DrugCentral
Nalmefene KEGG COMPOUND
nalmefene HCl DrugCentral
nalmefene hydrochloride DrugCentral
nalmefene hydrochloride dihydrate DrugCentral
nalmetrene DrugCentral
ORF-11676 DrugCentral
selincro DrugCentral
Manual Xrefs Databases
1876 DrugCentral
C08027 KEGG COMPOUND
D05111 KEGG DRUG
LSM-6644 LINCS
View more database links
Registry Number Type Source
55096-26-9 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017