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Molecule
Tamsulosin
CAS: 106133-20-4 · C20H28N2O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 106133-20-4
- Molecular Formula
- C20H28N2O5S
- Molecular Mass
- 408.52 g/mol
Identifiers
CAS Registry Number
106133-20-4
SMILES
CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChI Key
DRHKJLXJIQTDTD-OAHLLOKOSA-N
InChI
InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Names and Synonyms
- Tamsulosin Synonym
- Benzenesulfonamide, 5-[(2R)-2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy- Synonym
- Benzenesulfonamide, 5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy-, (R)- Synonym
- 5-[(2R)-2-[[2-(2-Ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide Synonym
- Amsulosin Synonym
- Tamsulosin Synonym
- (-)-Tamsulosin Synonym
- (R)-Tamsulosin Synonym
- (R)-5-[2-[[2-(2-Ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide Synonym
- Tulosin Synonym
- Contiflo OD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 408.52 g/mol | CAS Common Chemistry |
| 408.5200000000001 g/mol | RDKit | |
| 408.513 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C1=CC(=CC=C1OC)CC(NCCOC=2C=CC=CC2OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DRHKJLXJIQTDTD-OAHLLOKOSA-N | CAS Common Chemistry |
| Melting Point | 228-230 °C | CAS Common Chemistry |
| Name | Tamsulosin | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 99.88 Ų | RDKit |
| LogP | 2.3409000000000004 | RDKit |
| 2.3409 | RDKit | |
| Molar Refractivity | 108.64190000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 408.17189299599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
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 = 408.52 g/mol. Edit any field — others recompute live.
