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Nalfurafine

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Nalfurafine / CAS : 152657-84-6

Appearance A crystalline solid UN -
HS - DG Class -
Synonyms (2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-Epoxy-3,14-Dihydroxymorphinan-6-yl]-3-(Furan-3-yl)-N-Methylprop-2-Enamide Hydrochloride; (E)-N-((4R,4aS,7R,7aR,12bS)-3-(Cyclopropylmethyl)-4a,9-Dihydroxy-2,3,4,4a,5,6,7,7a-Octahydro-1H-4,12-Methanobenzofuro[3,2-e]Isoquinolin-7-yl)-3-(Furan-3-yl)-N-Methylacrylamide; (E)-N-(17-(Cyclopropylmethyl)-4,5Alpha-Epoxy-3,14-Dihydroxymorphinan-6beta-yl)-3-(Furan-3-yl)-N-Methylprop-2-Enamide; (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; (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]Isoquinoline-7-yl]-3-(Furan-3-yl)-N-Methylprop-2-Enamide; 17-Cyclopropylmethyl-3,14beta-Dihydroxy-4,5Alpha-Epoxy-6beta-(N-Methyl-Trans-3-(3-Furyl)Acrylamido)Morphinan; 17-Cyclopropylmethyl-3,14beta-Dihydroxy-4,5Alpha-Epoxy-6beta-[N-Methyl-Trans-3-(3-Furyl)Acrylamido]Morphinan; 2-Propenamide, N-((5.Alpha.,6.BETA.)-17-(Cyclopropylmethyl)-4,5-Epoxy-3,14-Dihydroxymorphinan-6-YL)-3-(3-Furanyl)-N-Methyl-, (2E)-; Nalfurafin; TRK 820; TRK-820 (Hydrochloride); TRK820
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Properties

Summary

Formula
C28H32N2O5
Molecular Mass
476.56400
Exact Mass
476.23100
PSA
86.38000
Logp
3.02760
IUPAC
(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
SMILES
CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7

Attribute classification

Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds

Chemical and Physical Properties

Density
1.41g/cm3
Boiling Point
700.7ºC at 760mmHg
Flash Point
377.6ºC
Appearance
A crystalline solid

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