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Chemical structure of Nalfurafine

GC44312

Nalfurafine

Also known as (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

Nalfurafine (TRK-820) is a potent and selective, orally active G protein-biased kappa opioid receptor (KOR) agonist

ChemicalCAS152657-84-6MW476.6FormulaC28H32N2O5
CAS number
152657-84-6
Molecular weight
476.6
Formula
C28H32N2O5
Solubility
33mg/ml in DMSO
InChIKey
XGZZHZMWIXFATA-UEZBDDGYSA-N
Catalogue number
GC44312
Brand
GLPBIO
Computed properties PubChem CID 6445230 · XLogP 1 · TPSA 86.4 Ų · H-bond donors 2
XLogP
1
TPSA
86.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

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

Computed descriptors from PubChem (CID 6445230), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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