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Salmeterol xinafoate

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Name

Salmeterol xinafoate

EINECS N/A
CAS No. 94749-08-3 Density 1.112g/cm3
PSA 139.48000 LogP 6.74190
Solubility slightly soluble in water Melting Point 137-138 °C
Formula C25H37NO4.C11H8O3 Boiling Point 603 °C at 760 mmHg
Molecular Weight 603.756 Flash Point 318.5 °C
Transport Information N/A Appearance white to off-white solid
Safety 22-24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 94749-08-3 (Salmeterol xinafoate) Hazard Symbols IrritantXi
Synonyms

(+-)-4-Hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-1,3-benzenedimethanol;Serevent (TN);Ultrabeta;Asmerole;Betamican;(+-)-4-Hydroxy-alpha-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha-diol;1,3-Benzenedimethanol, 4-hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-;Astmerole;GR 33343 G;Arial;Salmeterol 1-hydroxy-2-naphthoate;Aeromax;(+-)-4-Hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha-diol 1-hydroxy-2-naphthoate (salt);2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;Dilamax;

Article Data 7

Salmeterol xinafoate Specification

The IUPAC name of Salmeterol xinafoate is 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl] phenol; 1-hydroxynaphthalene-2-carboxylic acid . With the CAS registry number 94749-08-3, it is also named as (+-)-4-Hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha'-diol 1-hydroxy-2-naphthoate (salt) ; Arial ; Betamican ; Dilamax ; Salmetedur ; Salmeterol 1-hydroxy-2-naphthoate ; 1,3-Benzenedimethanol, 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-, 1-hydroxy-2-naphthalenecarboxylate (salt) .

The Salmeterol xinafoate is white solid which belongs to active pharmaceutical ingredients, intermediates & fine chemicals and adrenoceptor . It is used as adrenergic agonist and structural analog of albuterol. The side effects may include asthma, back pain, bronchitis, chest congestion, cough, diarrhea, dizziness, headache, nasal inflammation, pallor, respiratory tract infection, sinus headache, sinus infection, sinus problems, sore throat, stomachache and tremor.

This product is irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1 ; (2)ACD/BCF (pH 7.4): 1.53 ; (3)ACD/KOC (pH 5.5): 1.05 ; (4)ACD/KOC (pH 7.4): 13.42 ; (5)#H bond acceptors: 5 ; (6)#H bond donors: 4 ; (7)#Freely Rotating Bonds: 19 ; (8)Enthalpy of Vaporization: 94.33 kJ/mol ; (9)Vapour Pressure: 2.16E-15 mmHg at 25°C; (10)Rotatable Bond Count: 17 ; (11)Tautomer Count: 9 ; (12)Exact Mass: 603.319603 ; (13)MonoIsotopic Mass: 603.319603 ; (14)Topological Polar Surface Area: 140 ; (15)Heavy Atom Count: 44.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)c2ccc1c(cccc1)c2O.OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2; InChI: InChI=1/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14).

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