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| CAS No.: | 62883-00-5 |
|---|---|
| Name: | Iopamidol |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C17H22I3N3O8 |
| Molecular Weight: | 777.09 |
| Synonyms: | 1,3-Benzenedicarboxamide,N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-(9CI);N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxypropanoyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide; |
| EINECS: | 262-093-6 |
| Density: | 2.281 g/cm3 |
| Boiling Point: | 785.3 °C at 760 mmHg |
| Flash Point: | 428.8 °C |
| PSA: | 188.45000 |
| LogP: | -0.15950 |
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Specification
The CAS registry number of Iopamidol is 62883-00-5. The systematic name is N,N'-bis(1,3-dihydroxypropan-2-yl)-5-[(2-hydroxypropanoyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide. In addition, the molecular formula is C17H22I3N3O8 and the molecular weight is 777.09. It is a nonionic, low-osmolar iodinated contrast agent. And it is available in various concentrations, from 200 to 370 mgl/mL.
Physical properties about this chemical are: (1)ACD/LogP: -2.09; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -2.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.74; (8)ACD/KOC (pH 7.4): 1.74; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 107.08 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 137.2 cm3; (15)Molar Volume: 340.6 cm3; (16)Polarizability: 54.39 ×10-24cm3; (17)Surface Tension: 86.5 dyne/cm; (18)Density: 2.281 g/cm3; (19)Flash Point: 428.8 °C; (20)Enthalpy of Vaporization: 119.83 kJ/mol; (21)Boiling Point: 785.3 °C at 760 mmHg; (22)Vapour Pressure: 5.57E-26 mmHg at 25°C.
Uses of Iopamidol: it can be used in angiography throughout the cardiovascular system, including cerebral and peripheral arteriography and so on. In addition, it can be used in adult and pediatric intravenous excretory urography, pediatric contrast enhancement of computed tomographic (CECT) head and body imaging.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(c(I)c(c(I)c1NC(=O)C(O)C)C(=O)NC(CO)CO)C(=O)NC(CO)CO
(2)InChI: InChI=1/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)
(3)InChIKey: XQZXYNRDCRIARQ-UHFFFAOYAR