3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
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![3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fc471894eb454af6adaeb437cbd55a6e.png "3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid")
3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
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CAS No:
10397-76-9
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Formula:
C26H24I6N4O8
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Chemical Name:
3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
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Synonyms:
BRN 2800485;Isophthalamic acid, 5,5"-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-;5,5"-(Hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid);CTK4A2553;DTXSID80146172;3-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;LS-85196;5,5"-(1,8-Dioxooctane-1,8-diyldiimino)bis[2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid];Benzoic acid,3,3"-[(1,8-dioxo-1,8-octanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]-(9CI)
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CAS No:
3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Basic Attributes
1281.925
1281.586
DTXSID80146172
Computed Properties
Molecular Weight:1281.9
XLogP3:5.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:1281.5862
Monoisotopic Mass:1281.5862
Topological Polar Surface Area:191
Heavy Atom Count:44
Complexity:1010
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
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