CAS No.13392-18-2,Fenoterol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13392-18-2
Name:	Fenoterol

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 C₁₇H₂₁NO_4. 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