3-((2,3-Dimethylpyridin-4-yl)oxy)propan-1-ol N-Oxide - CAS 209914-28-3
Catalog: |
BB063027 |
Product Name: |
3-((2,3-Dimethylpyridin-4-yl)oxy)propan-1-ol N-Oxide |
CAS: |
209914-28-3 |
Synonyms: |
3-[(2,3-Dimethyl-1-oxido-4-pyridinyl)oxy]-1-propanol |
IUPAC Name: | 3-(2,3-dimethyl-1-oxidopyridin-1-ium-4-yl)oxypropan-1-ol |
Description: | 3-((2,3-Dimethylpyridin-4-yl)oxy)propan-1-ol N-Oxide is an intermediate in the synthesis of 2-(Chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine Hydrochloride (C369080), an impurity of Rabeprazole (R070540). Rabeprazole is a partially reversible gastric proton pump inhibitor. |
Molecular Weight: | 197.23 |
Molecular Formula: | C10H15NO3 |
Canonical SMILES: | CC1=C(C=C[N+](=C1C)[O-])OCCCO |
InChI: | InChI=1S/C10H15NO3/c1-8-9(2)11(13)5-4-10(8)14-7-3-6-12/h4-5,12H,3,6-7H2,1-2H3 |
InChI Key: | RYLCQKVUQVRROD-UHFFFAOYSA-N |
References: | Morii, M., and Takeguchi, N. J. Biol. Chem., 268, 21553 (1993); Yasuda, S., et al. Int. J. Clin. Pharmacol. Ther., 32, 466 (1994); Cloud, M.L., et al. Dig. Dis. Sci., 43, 993 (1998). |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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