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1949-45-7

1949-45-7 | 3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido);benzoic acid

CAS No: 1949-45-7 Catalog No: AG003S4O MDL No:MFCD00867964

Product Description

Catalog Number:
AG003S4O
Chemical Name:
3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido);benzoic acid
CAS Number:
1949-45-7
Molecular Formula:
C12H11I3N2O4
Molecular Weight:
627.9401
MDL Number:
MFCD00867964
IUPAC Name:
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
InChI:
InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)
InChI Key:
GGGDNPWHMNJRFN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(I)c(N(C(=O)C)C)c(c(c1I)C(=O)O)I
EC Number:
217-761-1
UNII:
CM1N99QR1M

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
627.785g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
627.943g/mol
Monoisotopic Mass:
627.785g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Enrichment and analysis of secretory lysosomes from lymphocyte populations. BMC immunology 20090101
Inadvertent injection of inappropriate contrast material. AJR. American journal of roentgenology 20060501
Acute renal failure in rats. Interaction between contrast media and temporary renal arterial occlusion. Acta radiologica (Stockholm, Sweden : 1987) 19890101
Selective injection of iopentol, iohexol and metrizoate into the left coronary artery of the dog. Induction of ventricular fibrillation and decrease of aortic pressure. Acta radiologica. Supplementum 19870101
ECG changes and arrhythmias induced by ionic and non-ionic contrast media during coronary arteriography in dogs. Investigative radiology 19780101
Clinical comparison of three contrast agents used in cerebral angiography. Investigative radiology 19760101
Adverse general reactions to high doses of methylglucamine-based contrast media. The British journal of radiology 19740901
Increased ventricular fibrillation during coronary arteriography with a new contrast medium preparation. Radiology 19711001

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