1-Methyl-2-chloromethyl-5-benzyloxypyridin-4(1H)-one Hydrochloride - CAS 481726-31-2
Catalog: |
BB059870 |
Product Name: |
1-Methyl-2-chloromethyl-5-benzyloxypyridin-4(1H)-one Hydrochloride |
CAS: |
481726-31-2 |
Synonyms: |
2-(Chloromethyl)-1-methyl-5-(phenylmethoxy)-4(1H)-pyridinone Hydrochloride; 5-(Benzyloxy)-2-(chloromethyl)-1-methylpyridin-4(1H)-one Hydrochloride |
IUPAC Name: | 2-(chloromethyl)-1-methyl-5-phenylmethoxypyridin-4-onehydrochloride |
Description: | 1-Methyl-2-chloromethyl-5-benzyloxypyridin-4(1H)-one Hydrochloride is used as a reagent in the synthesis of vanadyl-thiazolidinedione combination agents used for diabetes therapy. |
Molecular Weight: | 300.18 |
Molecular Formula: | C14H15Cl2NO2 |
Canonical SMILES: | CN1C=C(C(=O)C=C1CCl)OCC2=CC=CC=C2.Cl |
InChI: | InChI=1S/C14H14ClNO2.ClH/c1-16-9-14(13(17)7-12(16)8-15)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H31H |
InChI Key: | OEQAAZTZELJHTB-UHFFFAOYSA-N |
References: | Storr, T., et al. Bioconjugate Chem., 14, 212 (2003). |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.0479841 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.0479841 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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