4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylicacid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, sodium salt (1:2) (69049-74-7)

The Nedocromil sodium, with the CAS registry number 69049-74-7, is also known as 4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, disodium salt. It belongs to the product category of API. This chemical's molecular formula is C₁₉H₁₅NNa₂O₇ and formula weight is 415.30. What's more, both its IUPAC name and systematic name are the same which is called Disodium 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate. This chemical's classification codes are Anti-Inflammatory Agents and Anti-allergic [prophylactic].

Physical properties about this chemical are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.19; (4)ACD/LogD (pH 7.4): -2.23; (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; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 121.21 Å²; (13)Flash Point: 344.2 °C; (14)Enthalpy of Vaporization: 100.06 kJ/mol; (15)Boiling Point: 645.5 °C at 760 mmHg; (16)Vapour Pressure: 1.52E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=C(N2CC)C(=O)[O-].[Na+].[Na+]
(2)InChI: InChI=1S/C19H17NO7.2Na/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);;/q;2*+1/p-2
(3)InChIKey: JQEKDNLKIVGXAU-UHFFFAOYSA-L