Vascoray
[CAS# 51819-38-6]

Identification

• Name: Vascoray
• Synonyms: Vascoray; 1-Deoxy-1-(Methylamino)-D-Glucitol 3-(Acetylamino)-2,4,6-Triiodo-5-((Methylamino)Carbonyl) Benzoate (Salt), Mixt. With 3-(Acetylamino)-2,4,6- Triiodo-5-((Methylamino)Carbonyl)Benzoic Acid Monosodium Salt
• Molecular Formula: C₂₉H₃₃I₆N₅NaO₁₃
• Molecular Weight: 1444.02
• CAS Registry Number: 51819-38-6
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.CNC(=O)C1=C(I)C(=C(I)C(=C1I)C([O-])=O)NC(=O)C.CNC(=O)C2=C(I)C(=C(I)C(=C2I)C([O-])=O)NC(=O)C.[Na+]
• InChI: 1S/2C11H9I3N2O4.C7H17NO5.Na/c2*1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3;/q;;;+1/p-2/t;;4-,5+,6+,7+;/m..0./s1
• InChIKey: ULZGYJAKHICAFF-RZNNTOFGSA-L

Properties

• Boiling point: 520.2°C at 760 mmHg (Cal.)
• Flash point: 268.4°C (Cal.)