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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N3O4S
Molecular Weight 361.415
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Omeprazole sulfone

SMILES

COC1=CC2=C(NC(=N2)S(=O)(=O)CC3=NC=C(C)C(OC)=C3C)C=C1

InChI

InChIKey=IXEQEYRTSRFZEO-UHFFFAOYSA-N
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C17H19N3O4S
Molecular Weight 361.415
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Omeprazole sulfone is the major metabolite of the omeprazole, gastric proton pump inhibitor. Metabolite is formed by the sulfoxidation of the omeprazole under the action of cytochrome P450 (CYP)3A4. Omeprazole sulfone is found in plasma and shows elimination rate–limited kinetics in vivo. Omeprazole sulfone has been shown to act as a reversible direct-acting and metabolism-dependent inhibitor of CYP2C19.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
5.7 µM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
76X040Z74O
Record Status Validated (UNII)
Record Version