3-Pyridineglycolic acid, alpha-(3,4-dimethoxyphenyl)-, 2-(dimethylamino)ethyl ester, dihydrochloride

HCID 211392

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Basic information

CAS: 22965-72-6
Standard SMILES: COc1ccc(C(O)(C(=O)OCCN(C)C)c2cccnc2)cc1OC.Cl.Cl
InChIKey: NNIAKDKMXIUCQI-UHFFFAOYSA-N
Molecular formula: C19H26Cl2N2O5
Average molar mass: 433.3 g/mol
Monoisotopic mass: 432.1218773

Names & identifiers

Preferred name: 3-Pyridineglycolic acid, alpha-(3,4-dimethoxyphenyl)-, 2-(dimethylamino)ethyl ester, dihydrochloride
IUPAC: 2-(dimethylamino)ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxy-2-pyridin-3-ylacetate;dihydrochloride

Names & synonyms

22965-72-63-Pyridineglycolic acid, alpha-(3,4-dimethoxyphenyl)-, 2-(dimethylamino)ethyl ester, dihydrochlorideRefChem:1068702DTXSID809456622-(Dimethylamino)ethyl (3,4-dimethoxyphenyl)(hydroxy)(pyridin-3-yl)acetate--hydrogen chloride (1/2)

Database identifiers

CAS: 22965-72-6
PubChem CID: 211392
DTXSID: DTXSID80945662

Properties

Computed structural properties

Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 28
Formal charge: 0
Complexity: 448

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