2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid
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![2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6c37e77abba946f8b6638317bd1cb4f7.png "2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid")
2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid
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CAS No:
34733-03-4
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Formula:
C18H20I4N2O6
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Chemical Name:
2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid
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Synonyms:
34733-03-4;BRN 2195209;DTXSID80956218;Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) [German];Butanoic acid, 2,2'-((2,3,5,6-tetraiodo-1,4-phenylene)bis(carbonylimino)methylene))bis-;Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid);2,2'-{(2,3,5,6-Tetraiodo-1,4-phenylene)bis[(hydroxymethanylylidene)azanylylidenemethylene]}dibutanoic acid
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CAS No:
2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid Basic Attributes
868.0 g/mol
867.7500 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intravenous | Rodent - mouse | 4 gm/kg | Details of toxic effects not reported other than lethal dose value-- | Helvetica Chimica Acta. (Verlag Helvetica Chimica Acta, Postfach, CH-4002 Basel, Switzerland) V.1- 1918- Volume(issue)/page/year: 54,2097,1971 |
Computed Properties
Molecular Weight:868.0
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:867.7500
Monoisotopic Mass:867.7500
Topological Polar Surface Area:133
Heavy Atom Count:30
Complexity:582
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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