2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
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![2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0cbc1bee73664de79d6b6df4f3cecbb8.png "2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide")
2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
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CAS No:
63941-74-2
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Formula:
C20H28I3N3O13
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Chemical Name:
2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
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Synonyms:
3,5-bis(D-gluconamido)-2,4,6-triiodo-N-methylbenzamide;ioglucomide;Ioglucomide;63941-74-2;UNII-771V8M13LT;MP-8000;771V8M13LT;D-Gluconamide, N,N'-(2,4,6-triiodo-5-((methylamino)carbonyl)-1,3-phenylene)bis-;Ioglucomida;Ioglucomidum;Ioglucomide [USAN:INN];Ioglucomidum [INN-Latin];Ioglucomida [INN-Spanish];MP 8000;BRN 3026504;3,5-Bis-D-gluconamido-2,4,6-triiodo-N-methylbenzamide;Ioglucomide (USAN/INN);N,N'-(2,4,6-Triiodo-5-((methylamino)carbonyl)-1,3-phenylene)bis-D-gluconamide;N,N'-(2,4,6-Triiodo-5-(methylcarbamoyl)-m-phenylene)bis(D-gluconamide);SCHEMBL668426;CHEMBL3989881;ZINC150340734;2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide;D04576;Q27266538
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CAS No:
2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide Basic Attributes
899.2 g/mol
898.8756 g/mol
771V8M13LT
Computed Properties
Molecular Weight:899.2
XLogP3:-3.7
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:898.8756
Monoisotopic Mass:898.8756
Topological Polar Surface Area:290
Heavy Atom Count:39
Complexity:777
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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