Basic information
- CAS
784143-42-6- Standard SMILES
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1- InChIKey
WNUVTRNLJLQRDR-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13036271
Names & identifiers
- Preferred name
- N-Methyl omeprazole
- IUPAC
- 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
- English name
- EsoMeprazole related substance H193/61
- Molecular formula
- C18H21N3O3S
- Molecular weight
- 359.44
Names & synonyms
784143-42-636NGW5T64G6-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1H-benzimidazole6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole1H-Benzimidazole, 6-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1H-benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-RefChem:202165N-Methyl omeprazole6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole1-N-Methyl Omeprazole6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazoleOmeprazole Impurity?21
Show more names
N3-Methyl OmeprazoleOmeprazole Impurity21Esomeprazole Impurity 48Omeprazole Impurity H193Esomeprazole Impurity H193Esomeprazole Impurities534Omeprazole N-Methyl ImpurityN-Methyl Omeprazole Impurity 2Esomeprazole Impuritie H193/61Esomeprazole Sodium CP Impurity Ⅲ
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 585.8 · 585.8±60.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 4.73 · 4.73±0.40(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 36 NGW5T64G · 36NGW5T64G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-N-Methyl Omeprazole is an impurity from the synthesis of Omeprazole (O635000). Omeprazole covalently binds to proton pump. It inhibits gastric secretion and it is used as an anttiulcerative.
Suppliers76 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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