MedKoo Cat#: 561644 | Name: Diatrizoic Acid Dihydrate
Featured

Description:

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

Diatrizoic Acid Dihydrate is used as a radiocontrast agent for imaging the gastrointestinal tract in patients allergic to barium.

Chemical Structure

Diatrizoic Acid Dihydrate
CAS#50978-11-5 (Dihydrate)

Theoretical Analysis

MedKoo Cat#: 561644

Name: Diatrizoic Acid Dihydrate

CAS#: 50978-11-5 (Dihydrate)

Chemical Formula: C11H13I3N2O6

Exact Mass: 0.0000

Molecular Weight: 649.94

Elemental Analysis: C, 20.33; H, 2.02; I, 58.58; N, 4.31; O, 14.77

Price and Availability

Size Price Availability Quantity
1g USD 250.00 2 weeks
5g USD 550.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Synonym
Amidotrizoic acid dihydrate; Diatrizoic acid dihydrate
IUPAC/Chemical Name
3,5-Diacetamido-2,4,6-triiodobenzoic acid dihydrate
InChi Key
JHQKUXXJPHSPOL-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H9I3N2O4.2H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);2*1H2
SMILES Code
O=C(O)C1=C(I)C(NC(C)=O)=C(I)C(NC(C)=O)=C1I.[H]O[H].[H]O[H]
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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 649.94 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.

Recalculate based on batch purity %
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
1: Fucke K, McIntyre GJ, Lemée-Cailleau MH, Wilkinson C, Edwards AJ, Howard JA, Steed JW. Insights into the crystallisation process from anhydrous, hydrated and solvated crystal forms of diatrizoic acid. Chemistry. 2015 Jan 12;21(3):1036-47. doi: 10.1002/chem.201404693. Epub 2014 Nov 4. PubMed PMID: 25370384.