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Chemical structure of Apremilast-d5

GC46867

Apremilast-d5

Also known as N-[2-[(1S)-1-[4-methoxy-3-(1,1,2,2,2-pentadeuterioethoxy)phenyl]-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide

An internal standard for the quantification of apremilast

ChemicalCAS1258597-47-5MW465.5FormulaC22H19D5N2O7S
CAS number
1258597-47-5
Molecular weight
465.5
Formula
C22H19D5N2O7S
Solubility
DMSO : 100 mg/mL (214·81 mM; Need ultrasonic); DMSO : 44 mg/mL (94·52 mM; Need ultrasonic)
InChIKey
IMOZEMNVLZVGJZ-JVFKXMKASA-N
Catalogue number
GC46867
Brand
GLPBIO
Computed properties PubChem CID 49847869 · XLogP 1.8 · TPSA 127 Ų · H-bond donors 1
XLogP
1.8
TPSA
127 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32

SMILES [2H]C([2H])([2H])C([2H])([2H])OC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

Computed descriptors from PubChem (CID 49847869), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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