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5-Hydroxy Omeprazole

CAT: 1596-AR-O01311-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O01311-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92340-57-3
Synonyms
4-Methoxy-6-[[ (5-methoxy-1H-benzimidazol-2-yl) sulfinyl]methyl]-5-methyl-3-pyridinemethanol; 5-Methoxy-2-[[ (4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl) methyl]sulfinyl]-1H-benzimidazole; Hydroxyomeprazole
Molecular Formula
C17H19N3O4S
Molecular Weight
361.42
API Name
Omeprazole

Chemical Information

Hydroxyomeprazole

5'-hydroxyomeprazole is a sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group. It has a role as a drug metabolite. It is a sulfoxide, a member of benzimidazoles, a member of pyridines and an aromatic ether. It is functionally related to an omeprazole.

CAS Number92340-57-3
PubChem CID119560
IUPAC Name[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol
Molecular FormulaC17H19N3O4S
Molecular Weight361.4
XLogP1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity469
SMILES
CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC
InChI
InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKey
CMZHQFXXAAIBKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyomeprazole
CAS: 92340-57-3
CID: 119560
Formula: C17H19N3O4S
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass361.10962727
Monoisotopic Mass361.10962727
Topological Polar Surface Area117 Ų
Heavy Atom Count25
Formal Charge0
Complexity469
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

Related Products

CatalogName
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Alternative Products

CatalogName
MBS57984995-hydroxy Omeprazole
4366545-Hydroxy Acetate Omeprazole
sc-488826(S) -5-Hydroxy Omeprazole
CS-T-562175-Hydroxy Omeprazole-d3
TRC-H948868-50MG5-Hydroxy Omeprazole Sulfone
H948115(S)-5-Hydroxy Omeprazole
465514-01S-5-Hydroxy Omeprazole
FT28319-01O-Toluoyl-5-hydroxy omeprazole
4366715-Hydroxy Omeprazole- (Pyridyl) -d3
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