79770-24-4

Basic information

• Product Name: Iotrolan
• Synonyms: 2,4,6-triiodo-5-[methyl-[3-[methyl-[2,4,6-triiodo-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)phenyl]amino]-3-oxopropanoyl]amino]-n,n'-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide;IOTROLAN;1,3-Benzenedicarboxamide, 5,5'-[(1,3-dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N'-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-;Compound ZK 39482;Iotrol;Iotrovist;Isovist;Isovist 240
• CAS NO: 79770-24-4
• Molecular Formula: C37H48I6N6O18
• Molecular Weight: 1626.23
• Mol File: 79770-24-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 1390.4 °C at 760 mmHg
• Flash Point: 794.7 °C
• Appearance: /
• Density: 2.316 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.761
• Storage Temp.: 2-8°C
• Solubility: Very soluble in water, freely soluble in dimethyl sulfoxide, practically insoluble in ethanol (96 per cent).
• PKA: 5.51±0.70(Predicted)
• CAS DataBase Reference: Iotrolan(CAS DataBase Reference)
• NIST Chemistry Reference: Iotrolan(79770-24-4)
• EPA Substance Registry System: Iotrolan(79770-24-4)

Safety Data

• Hazardous Substances Data: 79770-24-4(Hazardous Substances Data)

Usage

Uses

Diagnostic aid (radiopaque medium).

Brand name

Osmovist (Berlex).

InChI:InChI=1/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)

Upstream product

• 40976-89-4 2,4,6-triiodo-5-(methylamino)isophthalic acid 
• 35453-19-1 2,4,6-triiodo-5-aminoisophthalic acid 

Relevant articles and documents

A method for preparing iodine Qu Lun

The invention relates to a preparation method of iotrolan. The preparation method comprises the following steps: carrying out reductive amination reaction on 5-amino-2,4,6-triiodoisophthalic acid and paraformaldehyde to prepare an amino monomethylated product; reacting the product with thionyl chloride to generate 5-methylamino-2,4,6-triiodo-isophthaloyl dichloride, taking malonyl dichloride as a truss arm, connecting the 5-methylamino-2,4,6-triiodo-isophthaloyl dichloride into a dimmer, carrying out amidation on the obtained dimmer and 2,2-dimethyl-6-amino-[1,3] dioxepin-5-alcohol, deprotecting under the acidic conditions to prepare a final product, namely the iotrolan. The preparation method has the benefits that the preparation method has simple process and is easy to implement, and the obtained iotrolan has high purity and high yield and is suitable for industrial production.