Hydroxyomeprazole
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Hydroxyomeprazole
structure -
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CAS No:
92340-57-3
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Formula:
C17H19N3O4S
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Chemical Name:
Hydroxyomeprazole
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Synonyms:
3-Pyridinemethanol,4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-;3-Pyridinemethanol,4-methoxy-6-[[(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-;4-Methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-3-pyridinemethanol;Hydroxyomeprazole;5-Hydroxyomeprazole;5-Methoxy-2-[[(4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
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CAS No:
Description
Off-White to Pale Yellow Solid
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 member of benzimidazoles, a member of pyridines, a sulfoxide and an aromatic ether. It derives from an omeprazole.
Characteristics
117
2.94930
1.45g/cm3
144-146°C
656.3ºC at 760mmHg
350.7ºC
1.692
-20°C Freezer, Under Inert Atmosphere
184.09 Ų [M+H]+
Safety Information
NONH for all modes of transport
2
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
Drug Information
5-Hydroxyomeprazole is a known human metabolite of omeprazole.
5-hydroxy omeprazole
Computed Properties
Molecular Weight:361.4
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:361.10962727
Monoisotopic Mass:361.10962727
Topological Polar Surface Area:117
Heavy Atom Count:25
Complexity:469
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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