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69049-74-7

Basic Information
CAS No.: 69049-74-7
Name: NEDOCROMIL SODIUM
Article Data: 1
Molecular Structure:
Molecular Structure of 69049-74-7 (NEDOCROMIL SODIUM)
Formula: C19H15NNa2O7
Molecular Weight: 415.31
Synonyms: 4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylicacid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, disodium salt (9CI);Alocril;FPL 59002KP;Nedocromil disodium salt;Nedocromil sodium;Rapitil;Tayled;Tilade;Tilarin;
Boiling Point: 645.5 °C at 760 mmHg
Flash Point: 344.2°C
PSA: 132.47000
LogP: -0.19270
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Specification

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