Iosumetic acid

4-[N-ethyl-2,4,6-triiodo-3-(methylamino)anilino]-4-oxobutanoic acid

CAS: 37863-70-0

Molecular Formula	`C13H15I3N2O3`
Molecular Weight	627.98 g/mol
LogP	3.0
Topological Polar Surface Area	69.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	627.8217
Heavy Atoms	21
Complexity	384.0

Chemical Identifiers

CAS Number	37863-70-0
SMILES	`CCN(C1=C(C=C(C(=C1I)NC)I)I)C(=O)CCC(=O)O`
InChIKey	`IGSPYLOKMDUVEX-UHFFFAOYSA-N`

📖 Product Overview

Iosumetic acid (CAS: 37863-70-0) is a chemical compound with molecular formula C13H15I3N2O3 and molecular weight 627.98 g/mol. Its IUPAC systematic name is 4-[N-ethyl-2,4,6-triiodo-3-(methylamino)anilino]-4-oxobutanoic acid. LogP 3.0 Topological Polar Surface Area 69.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 627.8217 Heavy Atoms 21 Complexity 384.0 InChI Key: IGSPYLOKMDUVEX-UHFFFAOYSA-N. SMILES: CCN(C1=C(C=C(C(=C1I)NC)I)I)C(=O)CCC(=O)O.

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