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Molecule
Metoprolol
CAS: 37350-58-6 · C15H25NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 37350-58-6
- Molecular Formula
- C15H25NO3
- Molecular Mass
- 267.37 g/mol
Identifiers
CAS Registry Number
37350-58-6
SMILES
COCCc1ccc(OCC(O)CNC(C)C)cc1
InChI Key
IUBSYMUCCVWXPE-UHFFFAOYSA-N
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
Names and Synonyms
- Metoprolol Common Name
- 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]- Synonym
- 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol Synonym
- 1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol Synonym
- Metoprolol Synonym
- CGP 2175 Synonym
- (±)-Metoprolol Synonym
- dl-Metoprolol Synonym
- (RS)-Metoprolol Synonym
- Spesicor Synonym
- Beatrolol Synonym
- Seroken Synonym
- Meijoprolol Synonym
- Toprol Synonym
- Metocard Synonym
- Vazocardin Synonym
- [2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine Synonym
- 1-[4-(2-Methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.37 g/mol | CAS Common Chemistry |
| 267.36899999999997 g/mol | RDKit | |
| 267.369 g/mol | RDKit | |
| Canonical SMILES | OC(COC1=CC=C(C=C1)CCOC)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IUBSYMUCCVWXPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Metoprolol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 50.72 Ų | RDKit |
| LogP | 1.6132 | RDKit |
| Molar Refractivity | 76.66250000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 267.18344366 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 267.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H25NO3.
