| CAS Number | 163685-37-8 |
| Catalog Number | AG00AE6A(AGN-PC-0WH2EL) |
| Chemical Name | 3-[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-1-isopropylamino-2-propanol (Mixture of Diasteromers)(Metoprolol Impurity J) |
| IUPAC Name | 1-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-(propan-2-ylamino)propan-2-ol |
| InChI | InChI=1S/C18H31NO5/c1-14(2)19-10-16(20)11-23-12-17(21)13-24-18-6-4-15(5-7-18)8-9-22-3/h4-7,14,16-17,19-21H,8-13H2,1-3H3 |
| InChI Key | SETHZMZYJZUIRG-UHFFFAOYSA-N |
| MDL Number | MFCD18379469 |
| Molecular Formula | C18H31NO5 |
| Molecular Weight | 341.4424 |
| SMILES | COCCc1ccc(OCC(O)COCC(O)CNC(C)C)cc1 |
| Synonyms | 163685-37-8,
Metoprolol Impurity J,
1-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol,
Metoprolol succinate impurity J [EP],
1-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,
(Metoprolol Impurity J)",
Metoprolol tartrate specified impurity J [EP],
2-Propanol, 1-(2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)propoxy)-3-((1-methylethyl)amino)-,
ACM163685378,
FT-0669747,
1-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-(propan-2-ylamino)propan-2-ol,
1-[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-[(1-methylethyl)amino]-2-propanol,
3-[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-1-isopropylamino-2-propanol (Mixture of Diasteromers)(Metoprolol Impurity),
UNII-LO6OOH390K,
Metoprolol EP Impurity J,
LO6OOH390K,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.22g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.448g/mol |
| Monoisotopic Mass | 341.22g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number