WHC is still in active development. Read this to understand our approach.
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isomerdesign

17-(Cyclopropylmethy...

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Nalmefene

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Nalmefene

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Nalmefene

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Data

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

Synonyms: ORF 1167,Nalmetrenum [INN-Latin], Nalmefene [USAN:BAN:INN], Revex (TN), ORF-11676,17-(Cyclopropylmethyl)-6-methylidene-4,5α-epoxymorphinan-3,14-diol,NCGC00021666-03,55096-26-9,Nalmetreno [INN-Spanish],JF-1,Revex,(5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinon-3,14-diol,Nalmetrene,Nalmefene hydrochloride hydrate, 9a-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylen-3,14-morphinandiol, NIH-10365, Nalmefenum [INN-Latin],TOV02TDP9I,D05111,ZINC403529, (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinon-3,14-diol,B5505,Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5.alpha.)-,EN300-18384909, 17-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol,Nalmefene (USAN/INN),Selincro,ORF-11676, Cessal,NALMEFENE [USAN],SMR000058884,AB00384250_10,Incystene,NALMEFENE [MI],CHEMBL982,Alcofene,17-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol,nalmefene,CAS-55096-26-9,JF 1,Nalmefenum [INN-Latin], (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diol,DSSTox_CID_3347,SRD174, Nalmefeno [INN-Spanish],DSSTox_RID_76985,Tox21_110873,GTPL1628,cid_5284594,Selincro (TN), Revex,(4R,4aS,7aS,12bS)-3-(Cyclopropylmethyl)-7-methylidene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methano[1]benzofuro[3,2-e]isoquinoline-4a,9-diol,(5α)-17-(Cyclopropylmethyl)-6-methylidene-4,5-epoxymorphinan-3,14-diol,Revex (nalmefene hydrochloride), Nalmetrenum [INN-Latin],(5alpha)-17-(cyclopropylmethyl)-6-methylidene-4,5-epoxymorphinan-3,14-diol,MLS000069366,ORF-1167,SRD-174, Nalmetrene,NALMEFENE [MART.],C08027,HMS2232D07,DB06230,Nalmetrenum,Nalmefeno [INN-Spanish],(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol, Soberal,Cessal,SCHEMBL35230, Nalmetrenum,(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,17-diol,NCGC00021666-04,ORF 11676,Soberal,Nalmefeno,Arthene,HSDB 6761,NALMEFENE [VANDF],BDBM50045776,Q4353252, Nalmetreno,NIH-10365,BCP16723, Incystene, ORF 11676, JF 1,UNII-TOV02TDP9I,NALMEFENE [WHO-DD],Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5alpha)-, (5alpha)-17-(cyclopropylmethyl)-6-methylidene-4,5-epoxymorphinan-3,14-diol,JKB-121,CHEBI:7457, Nalmefeno,Nalmetreno,Cervene,DSSTox_GSID_23347, Nalmefenum,Nalmefene [USAN:INN:BAN], Arthene,9a-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylen-3,14-morphinandiol,DTXSID8023347,NALMEFENE [HSDB],Nalmefene - d3,096N269,Nalmefenum,PDSP2_001543,(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol,BN36715,Opera_ID_468,(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol, Nalmetreno [INN-Spanish], Nalmefene (USAN/INN),NALMEFENE [INN], 6-Desoxy-6-methylenenaltrexone,Tox21_110873_1, Cervene, JF-1

Estimated data

Solubility: -3.457 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 62.6% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.