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Chemical structure of Reboxetine-d5 mesylate

GC75304

Reboxetine-d5 mesylate

Also known as methanesulfonic acid;(2R)-2-[(R)-[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]-phenylmethyl]morpholine

Reboxetine-d5 (mesylate) is the deuterium labeled Reboxetine-d5 (mesyla

ChemicalCAS1285918-53-7MW414.53FormulaC20H22D5NO6S
CAS number
1285918-53-7
Molecular weight
414.53
Formula
C20H22D5NO6S
InChIKey
CGTZMJIMMUNLQD-HODPIWSTSA-N
Catalogue number
GC75304
Brand
GLPBIO
Computed properties PubChem CID 71751992 · TPSA 102 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

SMILES [2H]C([2H])([2H])C([2H])([2H])OC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O

Computed descriptors from PubChem (CID 71751992), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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