3-Pyridineglycolic acid, alpha-(p-methoxyphenyl)-, 2-(dimethylamino)ethyl ester, dihydrochloride
Basic information
- CAS
22907-25-1- Standard SMILES
COc1ccc(C(O)(C(=O)OCCN(C)C)c2cccnc2)cc1.Cl.Cl- InChIKey
DESCQALVDQIPOW-UHFFFAOYSA-N- Molecular formula
- C18H24Cl2N2O4
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 402.1113126
Names & identifiers
- Preferred name
- 3-Pyridineglycolic acid, alpha-(p-methoxyphenyl)-, 2-(dimethylamino)ethyl ester, dihydrochloride
- IUPAC
- 2-(dimethylamino)ethyl 2-hydroxy-2-(4-methoxyphenyl)-2-pyridin-3-ylacetate;dihydrochloride
Names & synonyms
22907-25-13-Pyridineglycolic acid, alpha-(p-methoxyphenyl)-, 2-(dimethylamino)ethyl ester, dihydrochlorideRefChem:1068703DTXSID609455842-(Dimethylamino)ethyl hydroxy(4-methoxyphenyl)(pyridin-3-yl)acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
22907-25-1- PubChem CID
- 211323
- DTXSID
DTXSID60945584
Properties
Computed structural properties
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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