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| CAS No.: | 13392-18-2 |
|---|---|
| Name: | Fenoterol |
| Molecular Structure: | |
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| Formula: | C17H21NO4 |
| Molecular Weight: | 303.358 |
| Synonyms: | 1-(3,5-Dihydroxyphenyl)-2-(p-hydroxy-a-methylphenethylamino)ethanol;1-(3,5-Dihydroxyphenyl)-2-[[1-(4-hydroxybenzyl)ethyl]amino]ethanol;3,5-Dihydroxy-a-[p-hydroxy-a-methylphenethylamino]methylbenzylalcohol;Fenoterol;Phenoterol;Th 1165;Benzylalcohol, 3,5-dihydroxy-a-[[(p-hydroxy-a-methylphenethyl)amino]methyl]- (8CI);1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-[(4-hydroxyphenyl)isopropylamino]ethane;1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-[1-(4-hydroxyphenyl)isopropyl]aminoethane; |
| Density: | 1.29 g/cm3 |
| Melting Point: | 181-183°C |
| Boiling Point: | 566.049 °C at 760 mmHg |
| Flash Point: | 203.068 °C |
| PSA: | 92.95000 |
| LogP: | 3.40660 |
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Specification
The Fenoterol, with CAS registry number 13392-18-2, has the systematic name of 5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol. And its IUPAC name is the same one. And the chemical formula of this chemical is C17H21NO4. This chemical is an asthma medication. And the main use of this chemical is to open up the airways to the lungs. It is classed as sympathomimetic beta2 agonist.
Physical properties of Fenoterol: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.79; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 40.16 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 84.92 cm3; (15)Molar Volume: 235.2 cm3; (16)Polarizability: 33.66×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Enthalpy of Vaporization: 89.43 kJ/mol; (19)Vapour Pressure: 1.19E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(cc(O)c1)C(O)CNC(C)Cc2ccc(O)cc2
(2)InChI: InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
(3)InChIKey: LSLYOANBFKQKPT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
(5)Std. InChIKey: LSLYOANBFKQKPT-UHFFFAOYSA-N