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5-O-Desmethyl Omeprazole

CAT: 1459-CS-T-16364Size: 1 EachDry Ice: NoHazardous: No
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Description
5-O-Desmethyl Omeprazole is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Omeprazole. The product is supplied by Clearsynth under CAT No. CS-T-16364. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Metabolite of Omeprazole
CAS Number
151602-49-2
Synonyms
5-O-Desmethyl Omeprazole
Molecular Formula
C 16 H 17 N 3 O 3 S
Molecular Weight
331.4
Additionnal Information
5-O-Desmethyl Omeprazole is supplied with detailed characterization data compliant with regulatory guideline. 5-O-Desmethyl Omeprazole can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Omeprazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Metabolite of Omeprazole
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

5-o-Desmethylomeprazole

5'-O-Desmethyl omeprazole is a sulfoxide and a member of benzimidazoles.

CAS Number151602-49-2
PubChem CID10404448
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-ol
Molecular FormulaC16H17N3O3S
Molecular Weight331.4
XLogP1.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity439
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)O
InChI
InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)
InChIKey
TWXDTVZNDQKCOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-o-Desmethylomeprazole
CAS: 151602-49-2
CID: 10404448
Formula: C16H17N3O3S
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass331.09906259
Monoisotopic Mass331.09906259
Topological Polar Surface Area107 Ų
Heavy Atom Count23
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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