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Cas Database

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		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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