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Chemical structure of 6β-Naltrexol-d3

GC46730

6β-Naltrexol-d3

Also known as (4R,4aS,7R,7aR,12bS)-3-[dideuterio-(1-deuteriocyclopropyl)methyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

A Certified Reference Material

ChemicalCAS1435727-11-9MW346.4FormulaC20H22D3NO4
CAS number
1435727-11-9
Molecular weight
346.4
Formula
C20H22D3NO4
InChIKey
JLVNEHKORQFVQJ-ZNMQZXPKSA-N
Catalogue number
GC46730
Brand
GLPBIO
Computed properties PubChem CID 117065111 · XLogP -0.4 · TPSA 73.2 Ų · H-bond donors 3
XLogP
-0.4
TPSA
73.2 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25

SMILES [2H]C1(CC1)C([2H])([2H])N2CC[C@]34[C@@H]5[C@@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O

Computed descriptors from PubChem (CID 117065111), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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