CAS No.69049-73-6,Nedocromil Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69049-73-6
Name:	Nedocromil
Article Data:	2

Formula:	C₁₉H₁₇NO₇
Molecular Weight:	371.346
Synonyms:	FPL 59002;9-Ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid;4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylicacid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-;Tilarin;
Density:	1.472 g/cm³
Melting Point:	299 °C
Boiling Point:	645.504 °C at 760 mmHg
Flash Point:	344.189 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	126.81000
LogP:	2.47670

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Specification

The Nedocromil, with the CAS registry number 69049-73-6, is also known as 4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylicacid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-. This chemical's molecular formula is C₁₉H₁₇NO₇ and molecular weight is 371.34. What's more, its systematic name is 9-Ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid. Its classification codes are: (1)Anti-allergic [prophylactic]; (2)Anti-allergic agents; (3)Anti-asthmatic agents; (4)Anti-inflammatory agents; (5)Respiratory System Agents. This chemical is a pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with asthma, including eosinophils, neutrophils, macrophages, mast cells, monocytes, and platelets. It is a medication used to prevent wheezing, shortness of breath, and other breathing problems caused by asthma.

Physical properties of Nedocromil are: (1)ACD/LogP: 1.296; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.41; (4)ACD/LogD (pH 7.4): -3.45; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 121.21 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 90.957 cm³; (15)Molar Volume: 252.159 cm³; (16)Polarizability: 36.058×10^-24cm³; (17)Surface Tension: 69.28 dyne/cm; (18)Density: 1.473 g/cm³; (19)Flash Point: 344.189 °C; (20)Enthalpy of Vaporization: 100.064 kJ/mol; (21)Boiling Point: 645.504 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(N(/C(C(=O)O)=C/1)CC)c(c2O/C(=C\C(=O)c2c3)C(=O)O)CCC
(2)Std. InChI: InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)
(3)Std. InChIKey: RQTOOFIXOKYGAN-UHFFFAOYSA-N