ioxaglic acid

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

CAS: 59017-64-0

Molecular Formula	`C24H21I6N5O8`
Molecular Weight	1268.9 g/mol
LogP	2.8
Topological Polar Surface Area	194.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	1268.5658
Heavy Atoms	43
Complexity	1090.0

Chemical Identifiers

CAS Number	59017-64-0
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`
InChIKey	`TYYBFXNZMFNZJT-UHFFFAOYSA-N`

📖 Product Overview

ioxaglic acid (CAS: 59017-64-0) is a chemical compound with molecular formula C24H21I6N5O8 and molecular weight 1268.9 g/mol. Its IUPAC systematic name is 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid. LogP 2.8 Topological Polar Surface Area 194.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 10 Exact Mass 1268.5658 Heavy Atoms 43 Complexity 1090.0 InChI Key: TYYBFXNZMFNZJT-UHFFFAOYSA-N. 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.

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