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Iodixanol
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Name

Iodixanol

 EINECS 618-837-0
CAS No. 92339-11-2 Density 2.295 g/cm3
PSA 339.09000 LogP -0.02330
Solubility N/A Melting Point 262-267oC (dec.)
Formula C35H44I6N6O15 Boiling Point 1250.9 °C at 760 mmHg
Molecular Weight 1550.19 Flash Point 710.3 °C
Transport Information N/A Appearance almost white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 92339-11-2 (Iodixanol) Hazard Symbols N/A
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-;

Article Data 29

Iodixanol Chemical Properties

Molecular Structure of Iodixanol (CAS NO.92339-11-2):

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

Iodixanol 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.

Iodixanol 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 .

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