Iohexol

CAS Number: 66108-95-0

Molecular Mass: 821.1 g/mol

Formula: C₁₉H₂₆I₃N₃O₉

Smiles: CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

Synonymes:

Iohexol, iohexol, 66108-95-0, Omnipaque, Iohexolum, Omnipaque 240, Omnipaque 140, Omnipaque 300, Omnipaque 350, Omnipaque 70, Omnipaque 180, Omnipaque 210, Oraltag, WIN 39424, WIN-39424, DTXSID6023157, N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide, CHEBI:31709, 4419T9MX03, NSC-759636, DTXCID803157, 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, 1,3-benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, Iohexol 350, ioexolo, 1-N,3-N-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodobenzene-1,3-dicarboxamide, 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide, n,n'-bis(2,3-dihydroxypropyl)-5-[n-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodoisophthalamide, OMNIPAQUE 9, RefChem:57667, OMNIPAQUE 12, V08AB02, 266-164-2, Exypaque, Nycodenz, 5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide, N1,N3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide, MFCD00077732, C19H26I3N3O9, 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, NCGC00166000-01, Histodenz, N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide, Accudenz, Iohexolum [INN-Latin], 1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-[N-(2,3-Dihydroxypropyl)acetamido]-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide, SMR000857075, EINECS 266-164-2, BRN 2406632, UNII-4419T9MX03, Iohexol CRS, Omnipaque (TN), 1,3-Benzenedicarboxamide, 5-[acetyl(2,3- dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6- triiodo, Prestwick_802, Iohexol (Standard), CAS-66108-95-0, Iohexol [USAN:USP:INN:BAN:JAN], IOHEXOL [VANDF], IOHEXOL [USAN], IOHEXOL [INN], IOHEXOL [JAN], IOHEXOL [MI], IOHEXOL [MART.], Prestwick0_000512, Prestwick1_000512, Prestwick2_000512, Prestwick3_000512, IOHEXOL [USP-RS], IOHEXOL [WHO-DD], IOHEXOL [WHO-IP], EC 266-164-2, Iohexol, analytical standard, SCHEMBL26501, BSPBio_000463, MLS001332585, MLS001332586, MLS002153854, Iohexol (JP18/USP/INN), IOHEXOL [EP IMPURITY], IOHEXOL [ORANGE BOOK], SPBio_002384, IOHEXOL [EP MONOGRAPH], BPBio1_000511, orb1308214, IOHEXOL [USP MONOGRAPH], CHEMBL1200455, BCBcMAP01_000051, HY-B0594R, IOHEXOLUM [WHO-IP LATIN], Iohexol, Iodixanol EP Impurity A, HMS1569H05, HMS2096H05, HMS2235D07, HMS3369O04, HMS3713H05, HMS5086H14, HMS6018F09, ALBB-028959, DMB62333, HY-B0594, Iohexol for peak identification CRS, MSK11045, Tox21_112286, BDBM50247977, EBC-27484, s4531, AKOS015895399, Iodixanol EP Impurity A (Free Base), Tox21_112286_1, AC-1934, CCG-220512, DB01362, FI24632, NSC 759636, SMP1_000152, NCGC00166000-02, NCGC00166000-04, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide, AS-12699, I0903, NS00000223, D01817, D91214, Histodenz(TM), nonionic density gradient medium, EN300-19628570, F862815, Q410683, SR-01000838892, SR-01000838892-2, BRD-A60217728-001-11-2, Iohexol, European Pharmacopoeia (EP) Reference Standard, Iohexol, United States Pharmacopeia (USP) Reference Standard, Iohexol, Pharmaceutical Secondary Standard, Certified Reference Material, Iohexol for peak identification, European Pharmacopoeia (EP) Reference Standard, (1Z,3Z)-N'1,N'3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalimidic acid, 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo, 5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, N~1~,N~3~-Bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	288.15	-	0.5526	[383]
1,4-Dioxane	293.15	-	0.6655	[383]
1,4-Dioxane	298.15	-	0.7953	[383]
1,4-Dioxane	303.15	-	0.9549	[383]
1,4-Dioxane	308.15	-	1.148	[383]
1,4-Dioxane	313.15	-	1.364	[383]
1,4-Dioxane	318.15	-	1.631	[383]
1,4-Dioxane	323.15	-	1.942	[383]
1-Butanol	283.15	-	2.127	[383]
1-Butanol	288.15	-	2.585	[383]
1-Butanol	293.15	-	3.073	[383]
1-Butanol	298.15	-	3.714	[383]
1-Butanol	303.15	-	4.444	[383]
1-Butanol	308.15	-	5.321	[383]
1-Butanol	313.15	-	6.363	[383]
1-Butanol	318.15	-	7.594	[383]
1-Butanol	323.15	-	9.013	[383]
1-Propanol	283.15	-	7.937	[383]
1-Propanol	288.15	-	8.878	[383]
1-Propanol	293.15	-	10.02	[383]
1-Propanol	298.15	-	11.38	[383]
1-Propanol	303.15	-	12.93	[383]
1-Propanol	308.15	-	14.84	[383]
1-Propanol	313.15	-	16.85	[383]
1-Propanol	318.15	-	19.44	[383]
1-Propanol	323.15	-	22.35	[383]
Acetone	283.15	-	1.978	[383]
Acetone	288.15	-	2.354	[383]
Acetone	293.15	-	2.857	[383]
Acetone	298.15	-	3.421	[383]
Acetone	303.15	-	4.093	[383]
Acetone	308.15	-	4.842	[383]
Acetone	313.15	-	5.715	[383]
Acetone	318.15	-	6.681	[383]
Acetone	323.15	-	7.925	[383]
Acetonitrile	283.15	-	1.343	[383]
Acetonitrile	288.15	-	1.587	[383]
Acetonitrile	293.15	-	1.923	[383]
Acetonitrile	298.15	-	2.273	[383]
Acetonitrile	303.15	-	2.703	[383]
Acetonitrile	308.15	-	3.224	[383]
Acetonitrile	313.15	-	3.8	[383]
Acetonitrile	318.15	-	4.492	[383]
Acetonitrile	323.15	-	5.305	[383]
Cyclohexane	283.15	-	0.07212	[383]
Cyclohexane	288.15	-	0.0936	[383]
Cyclohexane	293.15	-	0.1174	[383]
Cyclohexane	298.15	-	0.1508	[383]
Cyclohexane	303.15	-	0.1882	[383]
Cyclohexane	308.15	-	0.2344	[383]
Cyclohexane	313.15	-	0.2887	[383]
Cyclohexane	318.15	-	0.3543	[383]
Cyclohexane	323.15	-	0.4362	[383]
Dimethyl sulfoxide	293.15	-	3.395	[383]
Dimethyl sulfoxide	298.15	-	4.115	[383]
Dimethyl sulfoxide	303.15	-	4.908	[383]
Dimethyl sulfoxide	308.15	-	5.826	[383]
Dimethyl sulfoxide	313.15	-	7.095	[383]
Dimethyl sulfoxide	318.15	-	8.337	[383]
Dimethyl sulfoxide	323.15	-	9.789	[383]
Ethanol	283.15	-	16.11	[383]
Ethanol	288.15	-	18.46	[383]
Ethanol	293.15	-	20.91	[383]
Ethanol	298.15	-	23.7	[383]
Ethanol	303.15	-	26.83	[383]
Ethanol	308.15	-	30.07	[383]
Ethanol	313.15	-	33.66	[383]
Ethanol	318.15	-	37.58	[383]
Ethanol	323.15	-	41.77	[383]
Ethyl acetate	283.15	-	1.069	[383]
Ethyl acetate	288.15	-	1.27	[383]
Ethyl acetate	293.15	-	1.513	[383]
Ethyl acetate	298.15	-	1.793	[383]
Ethyl acetate	303.15	-	2.119	[383]
Ethyl acetate	308.15	-	2.479	[383]
Ethyl acetate	313.15	-	2.896	[383]
Ethyl acetate	318.15	-	3.354	[383]
Ethyl acetate	323.15	-	3.874	[383]
Isopropanol	283.15	-	4.219	[383]
Isopropanol	288.15	-	4.929	[383]
Isopropanol	293.15	-	5.958	[383]
Isopropanol	298.15	-	7.196	[383]
Isopropanol	303.15	-	8.565	[383]
Isopropanol	308.15	-	10.21	[383]
Isopropanol	313.15	-	12.04	[383]
Isopropanol	318.15	-	14.27	[383]
Isopropanol	323.15	-	17.12	[383]
Methyl ethyl ketone	283.15	-	1.377	[383]
Methyl ethyl ketone	288.15	-	1.646	[383]
Methyl ethyl ketone	293.15	-	1.939	[383]
Methyl ethyl ketone	298.15	-	2.32	[383]
Methyl ethyl ketone	303.15	-	2.725	[383]
Methyl ethyl ketone	308.15	-	3.218	[383]
Methyl ethyl ketone	313.15	-	3.798	[383]
Methyl ethyl ketone	318.15	-	4.348	[383]
Methyl ethyl ketone	323.15	-	4.989	[383]
Toluene	283.15	-	0.1954	[383]
Toluene	288.15	-	0.2503	[383]
Toluene	293.15	-	0.314	[383]
Toluene	298.15	-	0.3933	[383]
Toluene	303.15	-	0.4797	[383]
Toluene	308.15	-	0.5752	[383]
Toluene	313.15	-	0.6946	[383]
Toluene	318.15	-	0.8389	[383]
Toluene	323.15	-	1.0	[383]

Molecule 3D descriptors

Descriptor	Value
PMI1	6649.2463
PMI2	9669.9242
PMI3	14686.4613
NPR1	0.4527
NPR2	0.6584
RadiusOfGyration	4.3451
InertialShapeFactor	0.0001
Eccentricity	0.8916
Asphericity	0.2057
SpherocityIndex	0.1958
PBF	1.0348