| CAS Number | 864544-37-6 |
| Catalog Number | AG00GXVB(AGN-PC-0WA6U9) |
| Chemical Name | 2-(Methylethoxy)ethyl 4-{2-hydroxy-3-[(methylethyl)amino]propoxy}benzoate |
| IUPAC Name | 2-propan-2-yloxyethyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzoate |
| InChI | InChI=1S/C18H29NO5/c1-13(2)19-11-16(20)12-24-17-7-5-15(6-8-17)18(21)23-10-9-22-14(3)4/h5-8,13-14,16,19-20H,9-12H2,1-4H3 |
| InChI Key | DUPZZHDDPRYPMB-UHFFFAOYSA-N |
| MDL Number | MFCD06662288 |
| Molecular Formula | C18H29NO5 |
| Molecular Weight | 339.4266 |
| SMILES | OC(COC1=CC=C(C(=O)OCCOC(C)C)C=C1)CNC(C)C |
| Synonyms | 864544-37-6,
2-Isopropoxyethyl 4-(2-hydroxy-3-(isopropylamino)propoxy)benzoate,
2-Isopropoxyethyl 4-[[(2RS)-2-Hydroxy-3-(isopropylamino)propyl]oxy]benzoate,
2-Isopropoxyethyl-4-[[(2RS)-2-hydroxy-3-(isopropylamino)propyl]oxy]benzoate,
Bisoprolol Ester Impurity,
2-(methylethoxy)ethyl 4-{2-hydroxy-3-[(methylethyl)amino]propoxy}benzoate,
SCHEMBL2594781,
DTXSID00639854,
SBB005914,
AKOS024282484,
MCULE-4255666979,
ST056389,
FT-0670616,
2-propan-2-yloxyethyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzoate,
2-[(Propan-2-yl)oxy]ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate,
4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-Benzoic Acid 2-(1-methylethoxy)ethyl Ester,
2-Isopropoxyethyl 4-[[(2RS)-2-Hydroxy-3-(isopropylamino)propyl]oxy]benzoate (Bisoprolol Ester),
Keto Bisoprolol,
CS-T-30287,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.432g/mol |
| Monoisotopic Mass | 339.205g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number