Product Code

TRC-T536500

CAS Number

120003-79-4

Product Format

Neat

Molecular Formula

C25H25N3O5S

Molecular Weight

479.55

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

o-Toluoyl-5-hydroxy Omeprazole

CAS Number

120003-79-4

Molecular Formula

C25H25N3O5S

Molecular Weight

479.55

Accurate Mass

479.1515

SMILES

COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(COC(=O)c4ccccc4C)c(OC)c3C

InChI

InChI=1S/C25H25N3O5S/c1-15-7-5-6-8-19(15)24(29)33-13-17-12-26-22(16(2)23(17)32-4)14-34(30)25-27-20-10-9-18(31-3)11-21(20)28-25/h5-12H,13-14H2,1-4H3,(H,27,28)

IUPAC

[4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methyl 2-methylbenzoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate in the preparation of Omeprazole metabolites

References: Renberg, L., et al.: Drug Metab. Disposition, 17, 69 (1989),

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o-Toluoyl-5-hydroxy Omeprazole

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