Nalfurafine hydrochloride
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
Molecular Identity
Nalfurafine hydrochloride
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
PubChem CID: 6918287
2D Structure
Properties
C28H33ClN2O5
Molecular Formula
513.00
Molecular Weight
g/mol
512.2078
Exact Mass
Da
86.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
893
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Nalfurafine hydrochloride152658-17-8TRK-820Nopicor25CC4N0P8JRefChem:8316972-Propenamide, N-((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-N-methyl-, hydrochloride (1:1), (2E)-Nalfurafine HClRemitchNalfurafine (hydrochloride)TRK-820 hydrochloride(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride2-Propenamide,N-[(5a,6b)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-, monohydrochloride, (2E)-CHEMBL490665(E)-N-(17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl)-3-(furan-3-yl)-N-methylprop-2-enamide monohydrochloride
Data from PubChem (NCBI)
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