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Omeprazole Sulphone

CAT: 1459-CS-IP-00480Size: 1 EachDry Ice: NoHazardous: No
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Description
Omeprazole Sulphone is listed under Metabolite and is intended for research and analytical applications. It is associated with omeprazole. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
88546-55-8
Synonyms
Omeprazole Sulphone
Molecular Formula
C 17 H 19 N 3 O 4 S
Molecular Weight
361.42
Additionnal Information
Omeprazole Sulphone is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Omeprazole sulfone

Omeprazole sulfone is a sulfoxide and a member of benzimidazoles.

CAS Number88546-55-8
PubChem CID145900
IUPAC Name6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
Molecular FormulaC17H19N3O4S
Molecular Weight361.4
XLogP2.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity553
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC
InChI
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)
InChIKey
IXEQEYRTSRFZEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Omeprazole sulfone
CAS: 88546-55-8
CID: 145900
Formula: C17H19N3O4S
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass361.10962727
Monoisotopic Mass361.10962727
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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CS-O-03017Omeprazole-13C, d3
CS-O-07977Omeprazole N-Oxide
CS-T-562175-Hydroxy Omeprazole-d3
CS-T-281174-Hydroxy Omeprazole Sulfide
CS-O-30491Omeprazole acid sodium salt
CS-T-88918Desulfoxide 4-Demethyl Omeprazole

Alternative Products

CatalogName
ID57915-01Pantoprazole sulphone
P336870Phenyl Sulphone
OR53153-01Dimethyl sulphone
TRC-F598350-25MGFluphenazine Sulphone
OR51865-01Dibenzothiophene sulphone
OR17026-01Diphenyl sulphone
OR51866-01Benzyl sulphone
BUP08454-01Omeprazole metabolite Omeprazole sulfone
O011-100MGOmeprazole

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