Basic information
- CAS
22907-26-2- Standard SMILES
CN(C)CCOC(=O)C(O)(c1ccccc1)c1cccnc1.Cl.Cl- InChIKey
GTKQIQGVVQXMDI-UHFFFAOYSA-N- Molecular formula
- C17H22Cl2N2O3
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 372.100748
Names & identifiers
- Preferred name
- 3-Pyridineglycolic acid, alpha-phenyl-, 2-(dimethylamino)ethyl ester, dihydrochloride
- IUPAC
- 2-(dimethylamino)ethyl 2-hydroxy-2-phenyl-2-pyridin-3-ylacetate;dihydrochloride
Names & synonyms
22907-26-23-Pyridineglycolic acid, alpha-phenyl-, 2-(dimethylamino)ethyl ester, dihydrochlorideRefChem:10687042-(Dimethylamino)ethyl alpha-phenyl-3-pyridineglycolate dihydrochlorideDTXSID209455852-(Dimethylamino)ethyl hydroxy(phenyl)(pyridin-3-yl)acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
22907-26-2- PubChem CID
- 211325
- DTXSID
DTXSID20945585
Properties
Computed structural properties
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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