CID 31850

3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol

Also Known As: AC1L1MGK|5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE MEGLUMINE|3,3'-[(1,3-Dioxopropane-1,3-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]--1-deoxy-1-(methylamino)hexitol (1/1)|3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol|3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol|D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3'-[(1,12-dioxo-1,12-dodecanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (1:1) (salt)

Molecular Formula	C28H31I6N5O13
Molecular Weight	1406.6187 g/mol
LogP	1.04
Topological Polar Surface Area	304.18 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	1406.6187
Heavy Atoms	52
Complexity	1625.1

Chemical Identifiers

CAS Number	23294-27-1
SMILES	CNCC(C(C(C(CO)O)O)O)O.CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I