Omeprazole Related Compound 9 - CAS 695-98-7
Catalog: |
BB033884 |
Product Name: |
Omeprazole Related Compound 9 |
CAS: |
695-98-7 |
Synonyms: |
2,3,5-Trimethyl-pyridine; 2,3,5-Collidine |
IUPAC Name: | 2,3,5-trimethylpyridine |
Description: | Omeprazole Related Compound 9 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: | 121.18 |
Molecular Formula: | C8H11N |
Canonical SMILES: | CC1=CC(=C(N=C1)C)C |
InChI: | InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3 |
InChI Key: | GFYHSKONPJXCDE-UHFFFAOYSA-N |
Boiling Point: | 184 °C (lit.) |
Purity: | 97 % |
Density: | 0.931 g/mL at 25 °C (lit.) |
Appearance: | Colorless to pale yellow liquid |
Storage: | Store at RT |
MDL: | MFCD00126840 |
LogP: | 2.00680 |
GHS Hazard Statement: | H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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-112229920-A | Method for detecting potential genotoxic impurities of esomeprazole sodium | 20200917 |
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EP-3892994-A1 | Pre-fractionation for mass spectrometric analysis | 20200408 |
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PMID | Publication Date | Title | Journal |
16417311 | 20060125 | Identification of components responsible for the odor of cigar smoker's breath | Journal of agricultural and food chemistry |
Complexity: | 90.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.089149355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Pyridines
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