Nalmefene hydrochloride dihydrate
(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;dihydrate;hydrochloride
Molecular Identity
Nalmefene hydrochloride dihydrate
(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;dihydrate;hydrochloride
PubChem CID: 46209574
2D Structure
Properties
C21H30ClNO5
Molecular Formula
411.90
Molecular Weight
g/mol
411.1813
Exact Mass
Da
54.9
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
6
H-Bond Acceptors
618
Complexity
SMILES
Canonical SMILES
SMILES: C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O.O.O.ClIsomeric SMILES
SMILES: C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.O.O.ClSynonyms(20)
Nalmefene hydrochloride dihydrate52Z0G7QVJX1228646-70-5Nalmefene hydrochloride hydrateDTXSID50153757Nalmefene hydrochloride hydrate (JAN)Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride, hydrate (1:1:2), (5alpha)-NALMEFENE HYDROCHLORIDE HYDRATE [JAN]NALMEFENE HYDROCHLORIDE DIHYDRATE [WHO-DD]MORPHINAN-3,14-DIOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-6-METHYLENE-, HYDROCHLORIDE, HYDRATE (1:1:2), (5.ALPHA.)-RefChem:831699DTXCID1076248(5S)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diol monohydrochloride dihydrateUNII-52Z0G7QVJXSelincro (TN)
Data from PubChem (NCBI)
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