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Hydroxyomeprazole

Hydroxyomeprazole structure

CAS No:
92340-57-3
Formula:
C17H19N3O4S
Chemical Name:
Hydroxyomeprazole
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
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

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.

Hydroxyomeprazole Basic Attributes

Molecular Weight：

361.42

Exact Mass：

361.42

Characteristics

PSA：

117

XLogP3：

2.94930

Density：

1.45g/cm3

Melting Point：

144-146°C

Boiling Point：

656.3ºC at 760mmHg

Flash Point：

350.7ºC

Refractive Index：

1.692

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Collision Cross Section：

184.09 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

Metabolism/Metabolites：

5-Hydroxyomeprazole is a known human metabolite of omeprazole.

MeSH Entry Terms：

5-hydroxy omeprazole

Hydroxyomeprazole Use and Manufacturing

The main metabolite of 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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5-HYDROXY OMEPRAZOLE 92340-57-3

CAS No.: 92340-57-3

Content: 95%

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5-hydroxy Omeprazole 92340-57-3

CAS No.: 92340-57-3

Content: 98%

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