iohexol

5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

CAS: 66108-95-0

Molecular Formula	`C19H26I3N3O9`
Molecular Weight	821.1 g/mol
LogP	-3.0
Topological Polar Surface Area	200.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	9
Rotatable Bonds	12
Exact Mass	820.8803
Heavy Atoms	34
Complexity	653.0

Chemical Identifiers

CAS Number	66108-95-0
SMILES	`CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I`
InChIKey	`NTHXOOBQLCIOLC-UHFFFAOYSA-N`

📖 Product Overview

iohexol (CAS: 66108-95-0) is a chemical compound with molecular formula C19H26I3N3O9 and molecular weight 821.1 g/mol. Its IUPAC systematic name is 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide. LogP -3.0 Topological Polar Surface Area 200.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 9 Rotatable Bonds 12 Exact Mass 820.8803 Heavy Atoms 34 Complexity 653.0 InChI Key: NTHXOOBQLCIOLC-UHFFFAOYSA-N. SMILES: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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