Omeprazole sulfone

Basic Information

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CAS Number

88546-55-8

Molecular Formula

C17H19N3O4S

Molecular Weight

361.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

80-82°C

Boiling Point

599.3°C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

316.2±32.9 °C

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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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

LogP

2.5658400000000006

Topological Polar Surface Area

94.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

553

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
Omeprazole Related Compound A
Omeprazole Sulfone
1H-Benzimidazole, 6-methoxy -2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-
5-methoxy-2-[[(4-methxoy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl]-1H-benzimidazole(omeprazole-sulfone)
Omeprazole metabolite Omeprazole sulfone
Omeprazole sulphone
1H-Benzimidazole,6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]
BEN501
OMeprazole Related CoMpound A (AS)
6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl}-1H-benzimidazole
5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl]-1H-benzimidazole
6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
Omeprazole sulfone
1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]- (9CI)
6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole (ACI)
2-[(3,5-Dimethyl-4-methoxy-2-pyridyl)methylsulfonyl]-5-methoxy-1H-benzimidazole
5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
H 168/66
5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulonyl]-1H-benzimidazole
88546-55-8
NS00003072
5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfonyl)-1H-benzoimidazole
5-methoxy-2-{[(4-methoxy-3,5-dimeth-yl-2-pyridyl)methyl]sulfonyl}benzimidazole
Omeprazole sulfone, analytical standard
DTXCID40159607
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole
BCP05850
BDBM50139805

MDL Number

MFCD00869772

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Omeprazole sulfone (CAS: 88546-55-8)?

Omeprazole sulfone (CAS: 88546-55-8) is subject to the Globally Harmonized System (GHS) for classification and labeling of chemicals, as well as REACH regulations in the European Union. In the USA, it should comply with FDA and EPA guidelines for chemical substances and pollutants.

Are there alternatives to Omeprazole sulfone in synthesis?

There are alternative synthetic routes for Omeprazole sulfone. Common reagents include sulfonyl chlorides and amines. Researchers often explore isomers and analogs to optimize the synthesis process for efficiency and cost-effectiveness.

What is the market or research trend for Omeprazole sulfone (CAS: 88546-55-8)?

The market for Omeprazole sulfone is growing due to its use as an acid suppressant in medical treatments. Research trends focus on its stability, bioavailability, and potential for therapeutic applications. Price trends indicate increasing demand, especially in pharmaceutical markets.

How should waste containing Omeprazole sulfone (CAS: 88546-55-8) be handled?

Waste containing Omeprazole sulfone should be collected in appropriate containers and stored separately to prevent contamination. Incineration or professional waste disposal methods should be used, with strict adherence to environmental protection regulations to minimize ecological impact.