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Molecule
Formoterol
CAS: 73573-87-2 · C19H24N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 73573-87-2
- Molecular Formula
- C19H24N2O4
- Molecular Mass
- 344.41 g/mol
Identifiers
CAS Registry Number
73573-87-2
SMILES
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(N=CO)c2)cc1
InChI Key
BPZSYCZIITTYBL-KINVLMLONA-N
InChI
InChI=1/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/s2
Names and Synonyms
- Formoterol Synonym
- Formoterol Synonym
- Formamide, N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, rel- Synonym
- Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, (R*,R*)-(±)- Synonym
- rel-N-[2-Hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide Synonym
- Eformoterol Synonym
- (±)Formoterol Synonym
- Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, (R*,R*)- Synonym
- Oxis Synonym
- Formatris Novolizer Synonym
- Atimos Synonym
- Fluir Synonym
- Perforomist Synonym
- Innovair Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.41 g/mol | CAS Common Chemistry |
| 344.41100000000006 g/mol | RDKit | |
| 344.411 g/mol | RDKit | |
| Canonical SMILES | O=CNC1=CC(=CC=C1O)C(O)CNC(C)CC2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=BPZSYCZIITTYBL-KINVLMLONA-N | CAS Common Chemistry |
| Name | Formoterol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 94.31 Ų | RDKit |
| LogP | 2.8728000000000007 | RDKit |
| 2.8728 | RDKit | |
| 2.85 | chempirical lib | |
| Molar Refractivity | 98.01010000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 344.173607248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 344.41 g/mol. Edit any field — others recompute live.
