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| CAS No.: | 106133-20-4 |
|---|---|
| Name: | Tamsulosin |
| Molecular Structure: | |
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| Formula: | C20H28N2O5S |
| Molecular Weight: | 444.98 |
| Synonyms: | Benzenesulfonamide,5-[(2R)-2-[[2-(2-ethoxyphenoxy) ethyl]amino]propyl]-2-methoxy-;Amsulosin;Tamsulosine [INN-French];Tamsulosinum [INN-Latin];Tamsulosina [INN-Spanish];5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide;Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-, (R)-;(R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide;Tamsulosin Hydrochloride; |
| EINECS: | 600-716-9 |
| Density: | 1.191 g/cm3 |
| Melting Point: | 226-228 °C |
| Boiling Point: | 595.5 °C at 760 mmHg |
| Flash Point: | 313.9 °C |
| Solubility: | sparingly soluble in water and methanol |
| Appearance: | White crystals |
| PSA: | 108.26000 |
| LogP: | 4.51290 |
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Specification
1. Introduction of Tamsulosin
The Tamsulosin belongs to the classification codes of (1)adrenergic agents; (2)adrenergic antagonists; (3)adrenergic alpha-antagonists; (4)antineoplastic agents; (5)neurotransmitter agents. Its IUPAC name is 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide . Its systematic name is 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide.
2. Properties of Tamsulosin
Physical properties of Tamsulosin are: (1) ACD/LogP: 2.24; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.66; (4) ACD/LogD (pH 7.4): 0.79; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1.06; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 14.13; (9) #H bond acceptors: 7; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 11; (12) Index of Refraction: 1.553; (13) Molar Refractivity: 109.78 cm3; (14) Molar Volume: 342.8 cm3; (15) Surface Tension: 45.2 dyne/cm; (16) Density: 1.191 g/cm3; (17) Flash Point: 313.9 °C; (18) Enthalpy of Vaporization: 88.74 kJ/mol; (19) Boiling Point: 595.5 °C at 760 mmHg; (20) Vapour Pressure: 3.79E-14 mmHg at 25°C.
3. Structure Descriptors of Tamsulosin
You could convert the following datas into the molecular structure:
(1) SMILES:O=S(=O)(N)c1c(OC)ccc(c1)C[C@H](NCCOc2ccccc2OCC)C;
(2) InChI:InChI=1/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;
(3) InChIKey:DRHKJLXJIQTDTD-OAHLLOKOBW
4. Use of Tamsulosin
Uses of Tamsulosin : this chemical has been used as a drug. It is an alpha 1 adrenoreceptor blocker which is used for treatment of benign prostatic hyperplasia and kidney stones.