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Iodixanol

CAT: 0013-GTR19176677-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176677-04Size:50 mg
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Description
Iodixanol (Visipaque) is a non-ionic, water-soluble contrast medium frequently employed in coronary angiography procedures. It is utilized in both in vivo diagnostic imaging and in vitro research applications within cardiovascular and radiological studies.
CAS Number
92339-11-2
Product Name Alternative
Acupaque, inhibit, Iodixanol, Inhibitor, Visipaque
Field of Research
Pharmacology & Drug Discovery
Purity
99.02% (May vary between batches)
Solubility
DMSO:255 mg/mL (164.5 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (3.23 mM) ; H2O:32.55 mg/mL (21 mM)
Smiles
CC (=O) N (CC (O) CN (C (C) =O) c1c (I) c (C (=O) NCC (O) CO) c (I) c (C (=O) NCC (O) CO) c1I) c1c (I) c (C (=O) NCC (O) CO) c (I) c (C (=O) NCC (O) CO) c1I
Molecular Formula
C35H44I6N6O15
Molecular Weight
1550.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Iodixanol

Iodixanol is a dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography. It has a role as a radioopaque medium.

CAS Number92339-11-2
PubChem CID3724
IUPAC Name5-[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
Molecular FormulaC35H44I6N6O15
Molecular Weight1550.2
XLogP-3.4
Topological Polar Surface Area339
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count22
Heavy Atom Count62
Formal Charge0
Complexity1330
SMILES
CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
InChI
InChI=1S/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)
InChIKey
NBQNWMBBSKPBAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodixanol
CAS: 92339-11-2
CID: 3724
Formula: C35H44I6N6O15
MW: 1550.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1550.2
XLogP3-3.4
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count22
Exact Mass1549.7133
Monoisotopic Mass1549.7133
Topological Polar Surface Area339 Ų
Heavy Atom Count62
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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