6-Chloromethyl-4-methoxy-5-methyl-3-pyridylmethanol o-Toluate Hydrochloride - CAS 1215661-49-6
Catalog: |
BB069868 |
Product Name: |
6-Chloromethyl-4-methoxy-5-methyl-3-pyridylmethanol o-Toluate Hydrochloride |
CAS: |
1215661-49-6 |
Synonyms: |
2-Methyl-benzoic Acid (4-Methoxy-6-chloromethyl-5-methyl-3-pyridinyl)methyl Ester Hydrochloride; o-Toluic Acid (4-Methoxy-6-chloromethyl-5-methyl-3-pyridinyl)methyl Ester Hydrochloride |
IUPAC Name: | [6-(chloromethyl)-4-methoxy-5-methylpyridin-3-yl]methyl 2-methylbenzoatehydrochloride |
Description: | Intermediate in the preparation of Omeprazole metabolites |
Molecular Weight: | 356.24 |
Molecular Formula: | C17H19Cl2NO3 |
Canonical SMILES: | CC1=CC=CC=C1C(=O)OCC2=CN=C(C(=C2OC)C)CCl.Cl |
InChI: | InChI=1S/C17H18ClNO3.ClH/c1-11-6-4-5-7-14(11)17(20)22-10-13-9-19-15(8-18)12(2)16(13)21-3/h4-7,9H,8,10H2,1-3H31H |
InChI Key: | MOALDKYNIWOTKK-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Methanol |
Appearance: | Off-White Solid |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 355.0741989 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 355.0741989 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 48.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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