AG00EBHU

63610-09-3 | Lodoxamidetromethamine

AG00EBHU

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CAS Number	63610-09-3
Catalog Number	AG00EBHU(AGN-PC-0T99WA)
Chemical Name	Lodoxamidetromethamine
IUPAC Name	2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
InChI	InChI=1S/C11H6ClN3O6.2C4H11NO3/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21;2*5-4(1-6,2-7)3-8/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21);2*6-8H,1-3,5H2
InChI Key	JJOFNSLZHKIJEV-UHFFFAOYSA-N
MDL Number	MFCD04112765
Molecular Formula	C19H28ClN5O12
Molecular Weight	553.9049
SMILES	OCC(CO)(N)CO.N#CC1=CC(NC(C(O)=O)=O)=C(Cl)C(NC(C(O)=O)=O)=C1.OCC(CO)(N)CO
UNII	50LV9A548L
Synonyms	Alomide, lodoxamide tromethamine, U 42585 E, U-42,585E, LODOXAMIDE TROMETHAMINE, 63610-09-3, Alomide, Lodoxamidetromethamine, UNII-50LV9A548L, Lodoxamide Trometamol, Lodoxamide (tromethamine), Lodoxamide tromethamine [USAN], 50LV9A548L, AK109390, Alomide (TN), U 42585E, Lodoxamide tromethamine (USAN), U 42,585E, N,N'-(2-Chloro-5-cyano-m-phenylene)dioxamic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2), U-42585E, U-42,585E, 2,2'-((2-Chloro-5-cyano-1,3-phenylene)diimino)bis(2-oxoacetic acid), compd. with 2-amino-2- (hydroxymethyl)-1,3-propanediol (1:2), Acetic acid, 2,2'-((2-chloro-5-cyano-1,3-phenylene)diimino)bis(2-oxo-, compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2), CHEMBL3989725, KS-00000GHW, MFCD04112765, AKOS016009147, API0017134, CS-6465, DS-4322, HY-16289, AX8136629, 4CH-024427, ST24047506, D04762, 610L093, C11H6ClN3O6.2C4H11NO3, CID11192129, C11-H6-Cl-N3-O6.2C4-H11-N-O3, Acetic acid, 2,2'-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxo-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2),

Complexity	543
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	553.142g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	12
Isotope Atom Count	0
Molecular Weight	553.906g/mol
Monoisotopic Mass	553.142g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	330A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number