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Molecule
Metoprolol Tartrate
CAS: 56392-17-7 · C19H31NO9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56392-17-7
- Molecular Formula
- C19H31NO9
- Molecular Mass
- 417.46 g/mol
Identifiers
CAS Registry Number
56392-17-7
SMILES
COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
WPTKISQJQVFSQI-LREBCSMRSA-N
InChI
InChI=1S/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Names and Synonyms
- Metoprolol Tartrate Synonym
- 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) Synonym
- 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (±)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) (salt) Synonym
- 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt) Synonym
- Metoprolol tartrate Synonym
- Lopresor Synonym
- Seloken Synonym
- Betaloc Synonym
- Slow Lopresor Synonym
- H 93/26 Synonym
- Metoprolol tartrate (2:1) Synonym
- (±)-Metoprolol tartrate Synonym
- Beloc Synonym
- (±)-Metoprolol bitartrate Synonym
- 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol tartrate Synonym
- Vasocardin Synonym
- (±)-1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol tartrate Synonym
- 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) (salt) Synonym
- Selopral Synonym
- CGP 2175E Synonym
- Prelis Synonym
- HCTCGP 2175E Synonym
- Metoprolol (+)-tartrate Synonym
- Metapro Synonym
- Metolar Synonym
- (±)Metoprolol-(+)-tartarate salt Synonym
- MetoHEXAL Synonym
- RS-metoprolol tartrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 417.46 g/mol | CAS Common Chemistry |
| 417.4550000000001 g/mol | RDKit | |
| 417.455 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.OC(COC1=CC=C(C=C1)CCOC)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WPTKISQJQVFSQI-LREBCSMRSA-N | CAS Common Chemistry |
| Melting Point | 120-123 °C | CAS Common Chemistry |
| Name | Metoprolol tartrate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 165.77999999999997 Ų | RDKit |
| 165.78 Ų | RDKit | |
| LogP | -0.5093999999999974 | RDKit |
| -0.5094 | RDKit | |
| Molar Refractivity | 103.94770000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5789 | RDKit |
| 0.58 | chempirical lib | |
| Exact Mass | 417.19988157199987 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
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MW = 417.46 g/mol. Edit any field — others recompute live.
