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Omeprazole N-Oxide

CAT: 0572-TRC-O635015-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O635015-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
176219-04-8
Synonyms
Esomeprazole Magnesium Trihydrate Imp. E (EP); Esomeprazole Imp. E (EP); Omeprazole Imp. E (EP); Omeprazole USP Related Compound E; Omeprazole USP RC E; 4-Methoxy-2-[[(RS)-(5-methoxy-1H-benzimidazol-2-yl)sulphinyl]methyl]-3,5-dimethylpyridine 1-Oxide; Omeprazole N-Oxide; Omeprazole Related Compound E; Esomeprazole Magnesium Trihydrate Impurity E; Esomeprazole Sodium Impurity E; Omeprazole Impurity E; Esomeprazole Impurity E; Esomeprazole Impurity E
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COc1ccc2[nH]c(nc2c1)S(=O)Cc3c(C)c(OC)c(C)c[n+]3[O-]
Molecular Formula
C17 H19 N3 O4 S
Molecular Weight
361.42
InChI
InChI=1S/C17H19N3O4S/c1-10-8-20(21)15(11(2)16(10)24-4)9-25(22)17-18-13-6-5-12(23-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)
Additionnal Information
IUPAC name: 5-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Omeprazole-N-oxide
CAS Number176219-04-8
PubChem CID10992053
IUPAC Name6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole
Molecular FormulaC17H19N3O4S
Molecular Weight361.4
XLogP1.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity483
SMILES
CC1=C[N+](=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]
InChI
InChI=1S/C17H19N3O4S/c1-10-8-20(21)15(11(2)16(10)24-4)9-25(22)17-18-13-6-5-12(23-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)
InChIKey
QZVDQETYNOBUPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Omeprazole-N-oxide
CAS: 176219-04-8
CID: 10992053
Formula: C17H19N3O4S
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass361.10962727
Monoisotopic Mass361.10962727
Topological Polar Surface Area109 Ų
Heavy Atom Count25
Formal Charge0
Complexity483
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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sc-212476Omeprazole N-Oxide
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HY-138199S1-01Omeprazole sulfone N-oxide-d3
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