Iosulamide sodium

disodium;3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxylato-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoate

CAS: 76874-89-0

Molecular Formula	`C28H26I6N4Na2O10S`
Molecular Weight	1418.0 g/mol
Topological Polar Surface Area	222.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	1417.5433
Heavy Atoms	51
Complexity	1270.0

Chemical Identifiers

CAS Number	76874-89-0
SMILES	`CCN(C1=C(C(=C(C(=C1I)NC(=O)CCS(=O)(=O)CCC(=O)NC2=C(C(=C(C(=C2I)C(=O)[O-])I)N(CC)C(=O)C)I)I)C(=O)[O-])I)C(=O)C.[Na+].[Na+]`
InChIKey	`DWJYYZSCACWGOS-UHFFFAOYSA-L`

📖 Product Overview

Iosulamide sodium (CAS: 76874-89-0) is a chemical compound with molecular formula C28H26I6N4Na2O10S and molecular weight 1418.0 g/mol. Its IUPAC systematic name is disodium;3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxylato-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoate. Topological Polar Surface Area 222.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 12 Exact Mass 1417.5433 Heavy Atoms 51 Complexity 1270.0 InChI Key: DWJYYZSCACWGOS-UHFFFAOYSA-L. SMILES: CCN(C1=C(C(=C(C(=C1I)NC(=O)CCS(=O)(=O)CCC(=O)NC2=C(C(=C(C(=C2I)C(=O)[O-])I)N(CC)C(=O)C)I)I)C(=O)[O-])I)C(=O)C.[Na+].[Na+].

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