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Chemical structure of 4-desmethoxy Omeprazole

GC42370

4-desmethoxy Omeprazole

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

4-desmethoxy Omeprazole is a potential impurity found in commercial omeprazole and esomeprazole magnesium preparations

ChemicalCAS110374-16-8MW315.4FormulaC16H17N3O2S
CAS number
110374-16-8
Molecular weight
315.4
Formula
C16H17N3O2S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 5 mg/ml
InChIKey
ZMXZYNHJPJEPAE-UHFFFAOYSA-N
Catalogue number
GC42370
Brand
GLPBIO
Computed properties PubChem CID 46781146 · XLogP 2.3 · TPSA 87.1 Ų · H-bond donors 1
XLogP
2.3
TPSA
87.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

SMILES CC1=CC(=C(N=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C

Computed descriptors from PubChem (CID 46781146), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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