AG0035DL

69049-73-6 | 9-ethyl-4,6-dioxo-10-propyl-4H,6H,9H-chromeno[7,6-b]pyridine-2,8-dicarboxylic acid

AG0035DL

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CAS Number	69049-73-6
Catalog Number	AG0035DL(AGN-PC-0TUDZF)
Chemical Name	9-ethyl-4,6-dioxo-10-propyl-4H,6H,9H-chromeno[7,6-b]pyridine-2,8-dicarboxylic acid
IUPAC Name	9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
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)
InChI Key	RQTOOFIXOKYGAN-UHFFFAOYSA-N
MDL Number	MFCD00864606
Molecular Formula	C19H17NO7
Molecular Weight	371.3408
SMILES	C(C)N1C(=CC(C2=CC3=C(C(=C12)CCC)OC(=CC3=O)C(=O)O)=O)C(=O)O
UNII	0B535E0BN0
Synonyms	9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, Alocril, Brionil, Calcium, Nedocromil, Cetimil, FPL 59002, FPL-59002, FPL59002, Halamid, Irtan, Nedocromil, Nedocromil Calcium, Nedocromil Sodium, Nedocromil, Calcium Salt (1:1), Nedocromil, Disodium Salt, Nedocromil, Disodium salt, Hydrate, Rapitil, Sodium, Nedocromil, Tilad, Tilade, Tilaire, Tilavist, NEDOCROMIL, 69049-73-6, Nedocromilum, Nedocromilo, Tilade, Nedocromilum [Latin], 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, Nedocromilo [Spanish], FPL 59002, FPL-59002, Rapitil, Nedocromil [USAN:BAN:INN], UNII-0B535E0BN0, C19H17NO7, 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, CHEBI:7492, 0B535E0BN0, Tilarin, 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)chinolin-2,8-dicarbonsaeure, NCGC00182073-02, DSSTox_CID_3356, 4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, DSSTox_RID_76990, DSSTox_GSID_23356, CAS-69049-73-6, Nedocromil, Disodium Salt, Nedocromil [USAN:INN:BAN], Nedocromil, Calcium Salt (1:1), FPL59002, ACMC-20p1ds, Nedocromil (USAN/INN), CHEMBL746, AC1L18TT, AC1Q6AI2, SCHEMBL4611, BIDD:GT0716, GTPL7607, DTXSID7023356, Nedocromil, >=98% (HPLC), CTK9A5792, EX-A098, BCP22724, ZINC3782807, Tox21_113148, MFCD00864606, AKOS016014051, Tox21_113148_1, API0006233, CS-2323, DB00716, NCGC00182073-03, 4CA-0899, AC-30178, AJ-45597, AN-37979, CC-32668, HY-13448, AB0032771, AX8144084, LS-176726, FT-0630782, ST24045863, X6180, C07255, D05129, Z-3186, 049N736, C-21152, L001326, SR-01000944506, SR-01000944506-1, 9-ethyl-4,6-dioxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-4,6-dioxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-4,6-dioxo-10-propyl-4H,6H,9H-chromeno[7,6-b]pyridine-2,8-dicarboxylic acid, Alocril, Tilavist, Brionil, Cetimil, Halamid, Tilaire, Irtan, Tilad, NEDOCROMIL SODIUM, Nedocromil calcium, Sodium, Nedocromil, Calcium, Nedocromil, Tildade (TN), D06FVX, Nedocromil, Disodium salt, Hydrate, CID50294, C19-H17-N-O7, D017835, 4,6-dioxo-1-ethyl-10-propyl-4h,6h-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid,

Complexity	753
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.101g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	371.345g/mol
Monoisotopic Mass	371.101g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number