IOXAGLATE MEGLUMINE

3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol

Also Known As: IOXAGLATE MEGLUMINE|AC1L28TY|AC1Q5M05|3-[(2-{[{3-[Acetyl(methyl)amino]-5-[hydroxy(methylimino)methyl]-2,4,6-triiodophenyl}(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-5-{hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodobenzoic acid--1-deoxy-1-(methylamino)hexitol (1/1)|3-[(n-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid- 1-deoxy-1-(methylamino)hexitol(1:1)|3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol|3-{Hydroxy[(2-hydroxyethyl)imino]methyl}-5-({1-hydroxy-2-[(hydroxy{3-[hydroxy(methylimino)methyl]-2,4,6-triiodo-5-(N-methylacetamido)phenyl}methylidene)amino]ethylidene}amino)-2,4,6-triiodobenzoic acid--1-deoxy-1-(methylamino)hexitol (1/1)

Molecular Formula	C31H38I6N6O13
Molecular Weight	1463.6765 g/mol
LogP	0.09
Topological Polar Surface Area	307.42 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	13
Rotatable Bonds	16
Exact Mass	1463.6765
Heavy Atoms	56
Complexity	1822.7

Chemical Identifiers

CAS Number	59018-13-2
SMILES	CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O