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CHEBI:759741 - nalmefene hydrochloride dihydrate

Default Structure
ChEBI IDCHEBI:759741
ChEBI Namenalmefene hydrochloride dihydrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.HCl.C21H25NO3.H2O
Net Charge0
Average Mass411.926
Monoisotopic Mass411.18125
SMILESCl.O.O.[H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)CCC2=C
InChIInChI=1S/C21H25NO3.ClH.2H2O/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;1H;2*1H2/t16-,19+,20+,21-;;;/m1.../s1
InChIKeyXOBQQQVDLSMXCE-JVRGSUDVSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
nalmefene hydrochloride dihydrate (CHEBI:759741) is a phenanthrenes (CHEBI:25961)
Synonym  Source
Nalmefene hydrochloride hydrateChEMBL