Omeprazole Related Compound 8 - CAS 86604-78-6
Catalog: |
BB038000 |
Product Name: |
Omeprazole Related Compound 8 |
CAS: |
86604-78-6 |
Synonyms: |
3,5-Dimethyl-4-methoxy-2-pyridinemethanol; 4-Methoxy-3,5-dimethyl-2-pyridinemethanol; 3,5-Dimethyl-2-hydroxymethyl-4-methoxypyridine; 2-Hydroxymethyl-4-methoxy-3,5-dimethylpyridine |
IUPAC Name: | (4-methoxy-3,5-dimethylpyridin-2-yl)methanol |
Description: | Omeprazole Related Compound 8 is an impurity of Omeprazole. Omeprazole is a proton pump inhibitor used in the treatment of dyspepsia. It binds to the proton pump hydrogen-potassium adenosine triphosphatase (H+/K+ ATPase) and inhibits its activity and the parietal cell secretion of H+ ions into the gastric lumen. |
Molecular Weight: | 167.21 |
Molecular Formula: | C9H13NO2 |
Canonical SMILES: | CC1=CN=C(C(=C1OC)C)CO |
InChI: | InChI=1S/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3 |
InChI Key: | PSEPRWKZZJWRCB-UHFFFAOYSA-N |
Boiling Point: | 60-63 °C |
Purity: | 97 % |
Density: | 1.092 g/cm3 |
Appearance: | White to brown solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD01076195 |
LogP: | 1.19930 |
GHS Hazard Statement: | H315 (93.65%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112645873-A | Synthetic method of 4-methoxy-2, 3, 5-trimethyl-pyridine nitrogen oxide | 20210223 |
CN-112358439-A | Omeprazole process impurity and preparation method thereof | 20201126 |
CN-112409251-A | Omeprazole process impurity and preparation method thereof | 20201126 |
CN-112142653-A | Preparation method of omeprazole intermediate | 20201022 |
CN-112229920-A | Method for detecting potential genotoxic impurities of esomeprazole sodium | 20200917 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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