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67992-58-9 | Benzoic acid, 3-[[2-[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, sodium salt (1:1)
CAS No: 67992-58-9 Catalog No: AG0036TD MDL No:
Product Description
Catalog Number:
AG0036TD
Chemical Name:
Benzoic acid, 3-[[2-[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, sodium salt (1:1)
CAS Number:
67992-58-9
Molecular Formula:
C24H20I6N5NaO8
Molecular Weight:
1290.8609
IUPAC Name:
sodium;3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate
InChI:
InChI=1S/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);/q;+1/p-1
InChI Key:
MBVDCEVFLAONHO-UHFFFAOYSA-M
SMILES:
OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(NCC(=O)C)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)[O-])I.[Na+]
EC Number:
268-060-2
UNII:
HQ43CN02U9
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1290.548g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
1290.868g/mol
Monoisotopic Mass:
1290.548g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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|---|---|
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| In vivo evaluation of cisplatin-loaded superabsorbent polymer microspheres for use in chemoembolization of VX2 liver tumors. | Journal of vascular and interventional radiology : JVIR 20120301 |
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| Clinically applied CT arthrography to measure the sulphated glycosaminoglycan content of cartilage. | Osteoarthritis and cartilage 20111001 |
| Computed tomography detects changes in contrast agent diffusion after collagen cross-linking typical to natural aging of articular cartilage. | Osteoarthritis and cartilage 20111001 |
| Contrast agent electrostatic attraction rather than repulsion to glycosaminoglycans affords a greater contrast uptake ratio and improved quantitative CT imaging in cartilage. | Osteoarthritis and cartilage 20110801 |
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