Basic information
- Name:
Iodixanol
- CAS No.:
92339-11-2
- Molecular Structure:
- Formula:
- C35H44I6N6O15
- Molecular Weight:
- 1550.18
- Synonyms:
- Iodixanolum;OptiPrep;Visipaque;5,5'-((2-Hydroxytrimethylene)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide);1,3-Benzenedicarboxamide, 5,5'-((2-hydroxy-1,3-propanediyl)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-;
- Density:
- 2.295 g/cm3
- Boiling Point:
- 1250.9 °C at 760 mmHg
- Flash Point:
- 710.3 °C
- particular:
- particular
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Chemistry
Molecular Structure of Iodixanol (CAS NO.92339-11-2):
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IUPAC Name: 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Empirical Formula: C35H44I6N6O15
Molecular Weight: 1550.1819
H bond acceptors: 21
H bond donors: 13
Freely Rotating Bonds: 31
Polar Surface Area: 204.93Å2
Index of Refraction: 1.751
Molar Refractivity: 275.64 cm3
Molar Volume: 675.3 cm3
Surface Tension: 89.5 dyne/cm
Density: 2.295 g/cm3
Flash Point: 710.3 °C
Enthalpy of Vaporization: 195.44 kJ/mol
Boiling Point: 1250.9 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Classification Code: Contrast media; Diagnostic aid [radiopaque medium]
InChI
InChI=1/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)
Smiles
c1(N(CC(CN(c2c(c(c(I)c(c2I)C(NC[C@@H](CO)O)=O)C(NC[C@@H](CO)O)=O)I)C(C)=O)O)C(C)=O)c(c(c(I)c(c1I)C(NC[C@@H](CO)O)=O)C(NC[C@@H](CO)O)=O)I
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 30512mg/kg (30512mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Acta Radiologica, Supplementum. Vol. 399, Pg. 69, 1995. |
| rat | LD50 | intravenous | > 42757mg/kg (42757mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" BLOOD: HEMORRHAGE | Acta Radiologica, Supplementum. Vol. 399, Pg. 69, 1995. |
Specification
Iodixanol , with CAS number of 92339-11-2, can be called 1,3-Benzenedicarboxamide, 5,5'-((2-hydroxy-1,3-propanediyl)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- ; 5,5'-((2-Hydroxytrimethylene)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide) ; Iodixanolum .