Ioxaglate sodium

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Catalog Number
ACM67992589
Product Name
Ioxaglate sodium
Structure
Structure
CAS
67992-58-9
Category
Heterocyclic Organic Compound
Synonyms
3-[[2-[[3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoic Acid
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
Molecular Weight
1290.86
Molecular Formula
C24H20I6N5NaO8
Canonical SMILES
CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)[O-])I)C(=O)NCCO)I)I)C(=O)NC)I.[Na+]
InChI Key
MBVDCEVFLAONHO-UHFFFAOYSA-M
Boiling Point
887.9ºC at 760 mmHg
Flash Point
490.8ºC
EC Number
268-060-2
Exact Mass
1290.55000
H-Bond Acceptor
8
H-Bond Donor
5
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