Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C22H18I6N2O9
- Molecular weight
- 1215.8 g/mol
- IUPAC name
- 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid
- SMILES
- C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
- InChIKey
- JXMIBUGMYLQZGO-UHFFFAOYSA-N
- XLogP
- 4.5
- Polar surface area
- 160 Ų
- H-bond donors
- 4
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 1215.528
Show 4 more facts
- Commons category
- Iotroxic acid
- chemical formula
- C₂₂H₁₈I₆N₂O₉
- canonical SMILES
- C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
- subject has role
- essential medicine
Sources (2)
via Wikidata · CC0