OmeprazoleSulfide , 10mMinDMSO , 73590-85-9

Synonym(s):
5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio}-1H-benzimidazole;6-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio}-1H-benzimidazole;Omeprazole impurity C (PhEur);Pyrmetazol;Ufiprazole

CAS NO.：73590-85-9

Empirical Formula: C17H19N3O2S

Molecular Weight: 329.42

MDL number: MFCD00869021

EINECS: 615-997-3

PRODUCT Properties

• Melting point: 122.0 to 126.0 °C
• Boiling point: 539.7±60.0 °C(Predicted)
• Density: 1.28±0.1 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 9.81±0.10(Predicted)
• color: White to Off-White
• λmax: 307nm(MeOH)(lit.)
• InChI: InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
• InChIKey: XURCIPRUUASYLR-UHFFFAOYSA-N
• SMILES: C1(SCC2=NC=C(C)C(OC)=C2C)NC2=CC(OC)=CC=C2N=1
• CAS DataBase Reference: 73590-85-9(CAS DataBase Reference)

Description and Uses

Omeprazole sulfide is an intermediate used in the production of the gastric proton pump inhibitors, omeprazole and esomeprazole . As a degradation product, it is reported to be a direct-acting inhibitor of cytochrome P450 2C19 in pooled human liver microsomes (IC₅₀ = 9.7 μM).

Omeprazole Sulfide (Esomeprazol EP Impurity C(Omeprazole EP Impurity C)) is a metabolite of Omeprazole.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• HS Code: 29339900