Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, sodium salt (1:1)
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![Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, sodium salt (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/efffe282b5904ad0a88a3b070c8cf945.png "Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, sodium salt (1:1)")
Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, sodium salt (1:1)
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CAS No:
1923-76-8
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Formula:
C15H16I3NO3.Na
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Chemical Name:
Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, sodium salt (1:1)
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Synonyms:
Butanoic acid,2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-,sodium salt (1:1);Cinnamic acid,3-butyramido-α-ethyl-2,4,6-triiodo-,monosodium salt;Butanoic acid,2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-,monosodium salt;Cinnamic acid,3-butyramido-α-ethyl-2,4,6-triiodo-,sodium salt;Bunamiodyl sodium;3-(3-Butyrylamino-2,4,6-triiodophenyl)-2-ethyl sodium acrylate;Orabilex;Orabilix;Buniodyl;Bili-oral;Bunaiod;Orablix
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CAS No:
Butanoic acid, 2-[[2,4,6-triiodo-3-[(1-oxobutyl)amino]phenyl]methylene]-, sodium salt (1:1) Basic Attributes
660.99
660.8084
Characteristics
69.2
5.63900
free acid, mp 105-120°
623ºC at 760mmHg
330.6ºC
2.21E-16mmHg at 25°C
LD50 in mice: 418 mg/kg i.v.; 2.78 g/kg orally (Hoppe)
Computed Properties
Molecular Weight:660.99
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:660.8084
Monoisotopic Mass:660.8084
Topological Polar Surface Area:69.2
Heavy Atom Count:23
Complexity:448
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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