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Chemical structure of Omeprazole sulfide-d3

GC63684

Omeprazole sulfide-d3

Also known as 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole

Omeprazole sulfide-d3 (Ufiprazole-d3) is the deuterium labeled Omeprazole sulfide

ChemicalCAS922730-98-1MW332.44FormulaC17H16D3N3O2S
CAS number
922730-98-1
Molecular weight
332.44
Formula
C17H16D3N3O2S
Solubility
DMSO ： 100 mg/mL (300·81 mM; Need ultrasonic)
InChIKey
XURCIPRUUASYLR-HPRDVNIFSA-N
Catalogue number
GC63684
Brand
GLPBIO
Computed properties PubChem CID 45040155 · XLogP 3.5 · TPSA 85.3 Ų · H-bond donors 1
XLogP
3.5
TPSA
85.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23

SMILES [2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3C)OC)C

Computed descriptors from PubChem (CID 45040155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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