Iohexol | CAS#66108-95-0

Iohexol
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 318064

CAS#: 66108-95-0

Description: Iohexol is a contrast agent. The osmolality of iohexol ranges from 322 mOsm/kg—approximately 1.1 times that of blood plasma—to 844 mOsm/kg, almost three times that of blood. Despite this difference, iohexol is still considered a low-osmolality contrast agent. The osmolality of older agents, such as diatrizoate, may be more than twice as high.

Chemical Structure

Iohexol

CAS# 66108-95-0

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 318064
Name: Iohexol
CAS#: 66108-95-0
Chemical Formula: C19H26I3N3O9
Exact Mass: 820.88
Molecular Weight: 821.138
Elemental Analysis: C, 27.79; H, 3.19; I, 46.36; N, 5.12; O, 17.54

Price and Availability

Size	Price	Availability
1g	USD 250	2 Weeks
5g	USD 450	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Iohexol, Omnipaque, Exypaque, Accudenz, Histodenz, Nycodenz

IUPAC/Chemical Name: N1,N3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide

InChi Key: NTHXOOBQLCIOLC-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:

Product Data

Instruction:

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Biological target:	Iohexol is a radiographic contrast agent and can be applied for myelography, computerized tomography (cisternography, ventriculography) and MicroCT imaging in vivo.
In vitro activity:	Moreover, iohexol activated WT skin MCs and MrgprB2-HEK293 cells, which led to increased intracellular Ca2+ concentrations (Fig. 2E and F). Iohexol caused degranulation of WT skin MCs in vitro, which led to the dose-dependent release of β-hexosaminidase and histamine (Fig. 2G and H). Reference: Biomed Pharmacother. 2021 May;137:111323. https://pubmed.ncbi.nlm.nih.gov/33524790/
In vivo activity:	An intravenous bolus of iohexol was administered to goats (13 measurements in n = 3 goats) and pigs (23 measurements in n = 5 pigs) before and after induction of kidney failure, followed by frequent blood sampling up to 1440 min. Plasma clearance (CL) was estimated by a nonlinear mixed-effects model (CLNLME) and by a one-compartmental pharmacokinetic disposition model using iohexol plasma concentrations during the terminal elimination phase (CL1CMT). A simple method for measurement of GFR in healthy and uremic goats and pigs was successfully developed, which eliminates the need for continuous infusion of an exogenous marker, urine collection and frequent blood sampling. Reference: Biology (Basel). 2021 May 23;10(6):461. https://pubmed.ncbi.nlm.nih.gov/34071069/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	10.0	12.18
	DMSO	53.3	64.95
	Ethanol	100.0	121.78
	PBS (pH 7.2)	10.0	12.18
	Water	75.0	91.34

Preparing Stock Solutions

The following data is based on the product molecular weight 821.14 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Yuan F, Zhang C, Sun M, Wu D, Cheng L, Pan B, Li T, Che D. MRGPRX2 mediates immediate-type pseudo-allergic reactions induced by iodine-containing iohexol. Biomed Pharmacother. 2021 May;137:111323. doi: 10.1016/j.biopha.2021.111323. Epub 2021 Jan 29. PMID: 33524790. 2. Danila D, Partha R, Elrod DB, Lackey M, Casscells SW, Conyers JL. Antibody-labeled liposomes for CT imaging of atherosclerotic plaques: in vitro investigation of an anti-ICAM antibody-labeled liposome containing iohexol for molecular imaging of atherosclerotic plaques via computed tomography. Tex Heart Inst J. 2009;36(5):393-403. PMID: 19876414; PMCID: PMC2763481. 3. van Gelder MK, Stevens J, Pieters TT, Vaessen KRD, Joles JA, Verhaar MC, Gerritsen KGF. Simplified Iohexol-Based Method for Measurement of Glomerular Filtration Rate in Goats and Pigs. Biology (Basel). 2021 May 23;10(6):461. doi: 10.3390/biology10060461. PMID: 34071069; PMCID: PMC8224736. 4. Baklouti S, Concordet D, Borromeo V, Pocar P, Scarpa P, Cagnardi P. Population Pharmacokinetic Model of Iohexol in Dogs to Estimate Glomerular Filtration Rate and Optimize Sampling Time. Front Pharmacol. 2021 Apr 29;12:634404. doi: 10.3389/fphar.2021.634404. PMID: 33995036; PMCID: PMC8116701.
In vitro protocol:	1. Yuan F, Zhang C, Sun M, Wu D, Cheng L, Pan B, Li T, Che D. MRGPRX2 mediates immediate-type pseudo-allergic reactions induced by iodine-containing iohexol. Biomed Pharmacother. 2021 May;137:111323. doi: 10.1016/j.biopha.2021.111323. Epub 2021 Jan 29. PMID: 33524790. 2. Danila D, Partha R, Elrod DB, Lackey M, Casscells SW, Conyers JL. Antibody-labeled liposomes for CT imaging of atherosclerotic plaques: in vitro investigation of an anti-ICAM antibody-labeled liposome containing iohexol for molecular imaging of atherosclerotic plaques via computed tomography. Tex Heart Inst J. 2009;36(5):393-403. PMID: 19876414; PMCID: PMC2763481.
In vivo protocol:	1. van Gelder MK, Stevens J, Pieters TT, Vaessen KRD, Joles JA, Verhaar MC, Gerritsen KGF. Simplified Iohexol-Based Method for Measurement of Glomerular Filtration Rate in Goats and Pigs. Biology (Basel). 2021 May 23;10(6):461. doi: 10.3390/biology10060461. PMID: 34071069; PMCID: PMC8224736. 2. Baklouti S, Concordet D, Borromeo V, Pocar P, Scarpa P, Cagnardi P. Population Pharmacokinetic Model of Iohexol in Dogs to Estimate Glomerular Filtration Rate and Optimize Sampling Time. Front Pharmacol. 2021 Apr 29;12:634404. doi: 10.3389/fphar.2021.634404. PMID: 33995036; PMCID: PMC8116701.

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1: Spinler SA, Nawarskas JJ, Boyce EG, Connors JE, Charland SL, Goldfarb S. Predictive performance of ten equations for estimating creatinine clearance in cardiac patients. Iohexol Cooperative Study Group. Ann Pharmacother. 1998 Dec;32(12):1275-83. Review. PubMed PMID: 9876806.

2: Yeh YF, Lin SK, Sung CY, Chu CC, Wu YR. Case report: Pontine haemorrhage following iohexol lumbar myelography. Br J Radiol. 1996 Apr;69(820):368-70. Review. PubMed PMID: 8665142.

3: Aurell M. Accurate and feasible measurements of GFR--is the iohexol clearance the answer? Nephrol Dial Transplant. 1994;9(9):1222-4. Review. PubMed PMID: 7816278.

4: Davies AM, Evans N, Chandy J. Outpatient lumbar radiculography: comparison of iopamidol and iohexol and a literature review. Br J Radiol. 1989 Aug;62(740):716-23. Review. PubMed PMID: 2670034.

5: Bories J. [Iohexol in studies of the spinal canal. Multicenter study]. J Radiol. 1988 Nov;69(11):675-9. Review. French. PubMed PMID: 3070021.

6: Kawada TK. Iohexol and iopamidol: second-generation nonionic radiographic contrast media. Drug Intell Clin Pharm. 1985 Jul-Aug;19(7-8):525-9. Review. PubMed PMID: 3896713.

7: Shaw DD, Potts DG. Toxicology of iohexol. Invest Radiol. 1985 Jan-Feb;20(1 Suppl):S10-3. Review. PubMed PMID: 3882609.

8: Almén T. Experimental investigations with iohexol and their clinical relevance. Acta Radiol Suppl. 1983;366:9-19. Review. PubMed PMID: 6206690.

9: Nilsson-Ehle P, Grubb A. New markers for the determination of GFR: iohexol clearance and cystatin C serum concentration. Kidney Int Suppl. 1994 Nov;47:S17-9. Review. PubMed PMID: 7869664.

10: Van de Kelft E, Bosmans J, Parizel PM, Van Vyve M, Selosse P. Intracerebral hemorrhage after lumbar myelography with iohexol: report of a case and review of the literature. Neurosurgery. 1991 Apr;28(4):570-4. Review. PubMed PMID: 2034352.

11: Sviridov NK. [Use of iohexol for myelography]. Zh Vopr Neirokhir Im N N Burdenko. 1987 Mar-Apr;(2):50-2. Review. Russian. PubMed PMID: 3296588.

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