CAS No.50978-11-5,Diatrizoic Acid Dihydrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50978-11-5
Name:	Diatrizoic Acid Dihydrate

Formula:	C₁₁H₉I₃N₂O₄·2H₂O
Molecular Weight:	613.92
Synonyms:	Benzoicacid, 3,5-bis(acetylamino)-2,4,6-triiodo-, dihydrate (9CI);Amidotrizoic acid dihydrate;Diatrizoic acid dihydrate;Benzoic acid,3,5-bis(acetylamino)-2,4,6-triiodo-, hydrate (1:2);
EINECS:	204-223-6
Density:	2.619g/cm³
Boiling Point:	614.1°C at 760 mmHg
Flash Point:	325.2°C
PSA:	113.96000
LogP:	3.13280

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Specification

3,5-Diacetamido-2,4,6-triiodobenzoic acid is an organic compound with the formula C₁₁H₉I₃N₂O₄·2H₂O, and its systematic name is the same with the product name. With the CAS registry number 50978-11-5, it is also named as Benzoic acid,3,5-bis(acetylamino)-2,4,6-triiodo-, hydrate (1:2). It belongs to the product categories of Organic acids; Enzyme Inhibitors Pharmacopoeia (USP); Core Bioreagents; Pharmacopoeia A-Z; Research Essentials. In addition, the molecular weight is 649.93. It is used as a diagnostic medicine for radiography of urinary tract, cardiovascular, brain tube and surrounding arteries.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Nc1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I.O.O
(2)Std. InChI: 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
(3)Std. InChIKey: JHQKUXXJPHSPOL-UHFFFAOYSA-N