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Fenoterol

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Name

Fenoterol

EINECS N/A
CAS No. 13392-18-2 Density 1.29 g/cm3
PSA 92.95000 LogP 3.40660
Solubility N/A Melting Point 181-183°C
Formula C17H21NO4 Boiling Point 566.049 °C at 760 mmHg
Molecular Weight 303.358 Flash Point 203.068 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13392-18-2 (Fenoterol) Hazard Symbols N/A
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;

 

Fenoterol 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

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