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Chemical structure of Omeprazole-d3 Sulfone

GC63311

Omeprazole-d3 Sulfone

Also listed as Omeprazole metabolite Omeprazole sulfone (methoxy-d3)

Omeprazole metabolite Omeprazole sulfone (methoxy-d3) (Omeprazole sulfone (methoxy-d3)) is the deuterium labeled Omeprazole metabolite Omeprazole sulfone

ChemicalCAS1189891-71-1MW364.43FormulaC17H16D3N3O4S
CAS number
1189891-71-1
Molecular weight
364.43
Formula
C17H16D3N3O4S
InChIKey
IXEQEYRTSRFZEO-HPRDVNIFSA-N
Catalogue number
GC63311
Brand
GLPBIO
Computed properties PubChem CID 45040156 · XLogP 2.2 · TPSA 103 Ų · H-bond donors 1
XLogP
2.2
TPSA
103 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

SMILES [2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC3=NC=C(C(=C3C)OC)C

Computed descriptors from PubChem (CID 45040156), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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