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Iohexol

CAT: 0804-HY-B0594-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0594-01Size:100 mg
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Description
Iohexol is a non-ionic, water-soluble contrast agent used as a reference marker for the determination of glomerular filtration rate (GFR) at the level of renal function. Iohexol can be used for contrast in myelography, computerized tomography (cisternography, ventriculography) and MicroCT imaging[1][2].
CAS Number
66108-95-0
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Autophagy; Mitophagy
Type
Reference compound
Related Pathways
Autophagy
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/iohexol.html
Purity
99.77
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : ≥ 50 mg/mL
Smiles
O=C(C1=C(I)C(N(C(C)=O)CC(O)CO)=C(I)C(C(NCC(O)CO)=O)=C1I)NCC(O)CO
Molecular Formula
C19H26I3N3O9
Molecular Weight
821.14
Precautions
H315, H319
References & Citations
[1]Hainfeld JF, Ridwan SM, Stanishevskiy Y, Smilowitz NR, Davis J, Smilowitz HM. Small, Long Blood Half-Life Iodine Nanoparticle for Vascular and Tumor Imaging. Sci Rep. 2018 Sep 14;8 (1) :13803.|[2]Soman RS, et al. Development and validation of an HPLC-UV method for determination of iohexol in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Feb 25;816 (1-2) :339-43. |[3]Jensen H, et al. The effects of the iodinated X-ray contrast media iodixanol, iohexol, iopromide, and ioversol on the rat kidney epithelial cell line NRK 52-E. Ren Fail. 2011;33 (4) :426-33. |[4]Klenner S, et al. Estimation of intestinal permeability in healthy dogs using the contrast medium iohexol. Vet Clin Pathol. 2009 Sep;38 (3) :353-60.|[5]Baklouti S, et al. Population Pharmacokinetic Model of Iohexol in Dogs to Estimate Glomerular Filtration Rate and Optimize Sampling Time. Front Pharmacol. 2021 Apr 29;12:634404.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Iohexol

Iohexol is a benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is an organoiodine compound and a benzenedicarboxamide.

CAS Number66108-95-0
PubChem CID3730
IUPAC Name5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular FormulaC19H26I3N3O9
Molecular Weight821.1
XLogP-3
Topological Polar Surface Area200
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity653
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
InChI
InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
InChIKey
NTHXOOBQLCIOLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iohexol
CAS: 66108-95-0
CID: 3730
Formula: C19H26I3N3O9
MW: 821.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight821.1
XLogP3-3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass820.8803
Monoisotopic Mass820.8803
Topological Polar Surface Area200 Ų
Heavy Atom Count34
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
51R-U344600Iohexol

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