N-Methyl omeprazole

Basic Information

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CAS Number

89352-76-1

Molecular Formula

C18H21N3O3S

Molecular Weight

359.45 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

132-135°C

Density

1.30

SMILES

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CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2C)C=CC(=C3)OC

InChI

InChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-8-13(23-4)6-7-16(14)21(18)3/h6-9H,10H2,1-5H3

InChIKey

RUGQJBJNYIHOIW-UHFFFAOYSA-N

LogP

2.910140000000001

Topological Polar Surface Area

66.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

481

Synonyms & References

English

N-Methyl OMeprazole (Mixture of isoMers with the Methylated nitrogens of iMidazole)
5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole,6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
N-Methyl Omeprazole
N-Methyl Omeprazole (Mixture of isomers with the methylated nitrogens of imidazole)
1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-, (±)- (ZCI)
5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole (ACI)
Esomeprazole Impurity 11（Mixture of Isomers）
5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole
CS-0197480
1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-
BS-50563
5-Methoxy-2-(((4-Methoxy-3,5-diMethylpyridin-2-yl)Methyl)sulfinyl)-1-Methyl-1H-benzo[d]iMidazole
UNII-VAK4E4QKJ4
SCHEMBL2592828
N-METHYL OMEPRAZOLE
(S)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1-methyl-1,3-benzodiazole
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1-methyl-1H-1,3-benzodiazole
(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole
89352-76-1
N-METHYLOMEPRAZOLE
DS-015878
CHEMBL4589446
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
1H-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-
5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole
AC-30004
VAK4E4QKJ4
5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1H-benzimidazole

MDL Number

MFCD19441777

Customs Code

29339900

FAQ

What regulatory guidelines apply to N-Methyl omeprazole (CAS: 89352-76-1)?

N-Methyl omeprazole (CAS: 89352-76-1) is classified under GHS as a category 2 skin sensitizer and category 1 carcinogen. It is also regulated under REACH in the EU, requiring registration for manufacturers and importers. FDA and EPA regulations require proper labeling, storage, and handling to ensure safe use and disposal.

Are there alternatives to N-Methyl omeprazole (CAS: 89352-76-1) in synthesis?

Alternatives to N-Methyl omeprazole include other proton pump inhibitors like pantoprazole and rabeprazole. In synthesis, isomers such as the R- and S-enantiomers can be used. Common reagents like substituted benzylamines and sulfonamides can also be explored as substitutes in the preparation of similar compounds.

What is the market or research trend for N-Methyl omeprazole (CAS: 89352-76-1)?

The market for N-Methyl omeprazole is stable, with ongoing research focusing on its therapeutic applications for gastrointestinal conditions. Recent trends include studies on its metabolites and possible drug interactions. There is also interest in developing newer, more effective proton pump inhibitors as alternatives.

How should waste containing N-Methyl omeprazole (CAS: 89352-76-1) be handled?

Waste containing N-Methyl omeprazole should be collected in appropriate containers and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended. Environmental protection measures include proper containment to prevent spillage and ensure safe handling and disposal.