| CAS Number | 119637-66-0 |
| Catalog Number | AG008XK4(AGN-PC-04W3D1) |
| Chemical Name | Metoprolol Fumarate |
| IUPAC Name | but-2-enedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| InChI | InChI=1S/C15H25NO3.C4H4O4/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2H,(H,5,6)(H,7,8) |
| InChI Key | VHYHYBWPDPBYTJ-UHFFFAOYSA-N |
| MDL Number | MFCD00873575 |
| Molecular Formula | C34H54N2O10 |
| Molecular Weight | 650.8000 |
| SMILES | C(C=CC(=O)O)(=O)O.COCCC1=CC=C(OCC(CNC(C)C)O)C=C1.COCCC1=CC=C(OCC(CNC(C)C)O)C=C1 |
| Synonyms | Metoprolol fumarate,
119637-66-0,
but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol,
KS-000000JR,
AKOS028110014,
Lopressor,
Lopresor OROS,
Metoprolol fumarate [USAN],
UNII-IO1C09Z674,
CGP 2175C,
Metoprolol fumarate [USAN:USP],
C15-H25-N-O3.C4-H4-O4,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.441g/mol |
| Monoisotopic Mass | 383.194g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number