Iohexol

CAT: 0804-HY-B0594-03Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0594-03Size:500 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 Number	66108-95-0
PubChem CID	3730
IUPAC Name	5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula	C19H26I3N3O9
Molecular Weight	821.1
XLogP	-3
Topological Polar Surface Area	200
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Heavy Atom Count	34
Formal Charge	0
Complexity	653

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

CAS: 66108-95-0

CID: 3730

Formula: C19H26I3N3O9

MW: 821.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	821.1
XLogP3	-3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	820.8803
Monoisotopic Mass	820.8803
Topological Polar Surface Area	200 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	653
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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51R-U344600	Iohexol

Iohexol

Chemical Information

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