AG003AEL

53882-12-5 | 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid

AG003AEL

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CAS Number	53882-12-5
Catalog Number	AG003AEL(AGN-PC-0JKU0S)
Chemical Name	2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
IUPAC Name	2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
InChI	InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChI Key	RVGLGHVJXCETIO-UHFFFAOYSA-N
MDL Number	MFCD00864803
Molecular Formula	C11H6ClN3O6
Molecular Weight	311.6348
SMILES	ClC1=C(NC(C(=O)O)=O)C=C(C=C1NC(=O)C(=O)O)C#N
UNII	SPU695OD73
Synonyms	diethyl N,N'-(2-chloro-5-cyano-m-phenylene)dioxamate, lodoxamide, lodoxamide ethyl, U-42,718, Lodoxamide, 53882-12-5, Lodoxamidum, Lodoxamide [INN:BAN], Lodoxamidum [INN-Latin], Lodoxamida [INN-Spanish], UNII-SPU695OD73, Alomide, SPU695OD73, N,N'-(2-Chlor-5-cyan-3-phenylen)dioxamsaeure, 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid, Alomide (TN), Lodoxamida, Acetic acid, 2,2'-((2-chloro-5-cyano-1,3-phenylene)diimino)bis(2-oxo-, Acetic acid, 2,2'-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxo-, Lodoxamide (INN), AC1L2C3G, DSSTox_CID_31556, DSSTox_RID_97441, DSSTox_GSID_57767, SCHEMBL119881, GTPL9743, CHEMBL1201266, DTXSID9057767, CHEBI:135333, HMS3715I21, ZINC2000707, Tox21_113669, AKOS028110660, AN-5658, API0003198, CCG-221010, CS-6498, DB06794, NCGC00249893-01, AJ-32346, HY-14270, CAS-53882-12-5, LS-175506, FT-0627968, D08139, N,N'-(2-chloro-5-cyano-m-phenylene)dioxamate, 882L125, N,N'-(2-chloro-5-cyano-m-phenylene)dioxamic acid, 2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxo-acetic acid, 2-[[2-chloro-5-cyano-3-(oxaloamino)phenyl]amino]-2-oxoacetic acid, 2,2'-((2-Chloro-5-cyano-1,3-phenylene)bis(azanediyl))bis(2-oxoacetic acid), Lodoxamide Trometamol, LODOXAMIDE TROMETHAMINE, LODOXAMIDE ETHYL, C11H6ClN3O6, D0OG3K, C11-H6-Cl-N3-O6, CID44564, U 42585E, U-42585E, U-42,585E, U-42585, U-42718,

Complexity	489
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.995g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	311.634g/mol
Monoisotopic Mass	310.995g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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