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Chemical structure of 6α-Oxycodol N-oxide

GC42589

6α-Oxycodol N-oxide

Also known as (4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,7-diol

6α-Oxycodol N-oxide is an analytical reference standard that is structurally categorized as an opioid

ChemicalCAS71539-53-2MW333.4FormulaC18H23NO5
CAS number
71539-53-2
Molecular weight
333.4
Formula
C18H23NO5
Solubility
DMF： 20 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 10 mg/ml
InChIKey
PYNMSKPCGNAJAM-KEMGKEEMSA-N
Catalogue number
GC42589
Brand
GLPBIO
Computed properties PubChem CID 165362010 · XLogP -1.3 · TPSA 77 Ų · H-bond donors 2
XLogP
-1.3
TPSA
77 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24

SMILES C[N+]1(CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O)[O-]

Computed descriptors from PubChem (CID 165362010), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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