6-Acetoxymethyl-4-methoxy-5-methyl-3-pyridylmethanol o-Toluate - CAS 1159977-01-1
Catalog: |
BB075533 |
Product Name: |
6-Acetoxymethyl-4-methoxy-5-methyl-3-pyridylmethanol o-Toluate |
CAS: |
1159977-01-1 |
Synonyms: |
2-Methyl-benzoic Acid (4-Methoxy-6-(o-acetyl-methyl)-5-methyl-3-pyridinyl)methyl Ester; o-Toluic Acid [4-Methoxy-6-(o-acetyl-methyl)-5-methyl-3-pyridinyl]methyl Ester |
IUPAC Name: | [6-(acetyloxymethyl)-4-methoxy-5-methylpyridin-3-yl]methyl 2-methylbenzoate |
Description: | Intermediate in the preparation of Omeprazole metabolites |
Molecular Weight: | 343.37 |
Molecular Formula: | C19H21NO5 |
Canonical SMILES: | CC1=CC=CC=C1C(=O)OCC2=CN=C(C(=C2OC)C)COC(=O)C |
InChI: | InChI=1S/C19H21NO5/c1-12-7-5-6-8-16(12)19(22)25-10-15-9-20-17(11-24-14(3)21)13(2)18(15)23-4/h5-9H,10-11H2,1-4H3 |
InChI Key: | QCGQHFZZHNDHLP-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Methanol |
Complexity: | 455 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.14197277 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.14197277 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 74.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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