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Iohexol

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Identification
Molecular formula
C19H26I3N3O9
CAS number
66108-95-0
IUPAC name
5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide
State
State

At room temperature, Iohexol is in a solid state, typically as a crystalline powder. It is used in various aqueous solutions, particularly as a contrast agent in medical imaging.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
215.00
Boiling point (Kelvin)
488.15
General information
Molecular weight
821.14g/mol
Molar mass
821.1350g/mol
Density
1.3400g/cm3
Appearence

Iohexol is a white to off-white crystalline powder. It is typically odorless and has the appearance of a solid substance under standard conditions.

Comment on solubility

Solubility of 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide

The solubility of the compound C19H26I3N3O9 is a critical aspect to consider due to its complex structure which contains both hydrophilic and hydrophobic regions. Understanding its solubility can reveal valuable information about its potential applications and behavior in various environments. Here are some key points regarding its solubility:

  • Hydrophilicity and Hydrophobicity: The presence of multiple hydroxyl (-OH) groups in the structure typically enhances the molecule's solubility in polar solvents such as water.
  • Iodine Presence: The three iodine atoms present in the compound suggest that solubility may be moderate due to their size and hydrophobic nature, potentially impacting interactions with nonpolar solvents.
  • Interaction with Solvents: This compound may exhibit varied solubility depending on the solvent due to the balance between polar and nonpolar interactions. It is likely to be more soluble in protic solvents.
  • pH Influence: Variations in pH levels could significantly affect the solubility of this compound, especially due to the presence of carboxamide groups that can potentially protonate or deprotonate.
  • Temperature Effects: Like many chemical compounds, the solubility may increase with temperature, emphasizing the importance of experimental conditions in solubility tests.

In conclusion, the solubility of C19H26I3N3O9 appears to be influenced by multiple factors including its chemical structure, solvent choice, pH, and temperature. Understanding these parameters is crucial for scientists aiming to utilize this compound effectively in practical applications.

Interesting facts

Interesting Facts about 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide

This complex compound showcases an intriguing blend of chemistry and potential applications in various fields, especially in medicinal chemistry. Here are some fascinating facts:

  • Structure and Functionality: The compound features a benzene ring adorned with three iodine atoms, which can enhance its potency as a radiolabeled compound in diagnostic imaging, particularly in areas such as oncology or cardiology.
  • Hydroxyl Groups: The presence of multiple hydroxyl groups contributes to the compound's solubility and reactivity, making it a versatile candidate for various biochemical applications.
  • Biological Significance: Due to its potential to interact with biological systems, this compound may serve as a lead in the development of new therapies or as a tool in biological research.
  • Research Potential: Synthetic pathways used to produce the compound can provide insights into chemical reactivity and the mechanisms underlying complex molecule formation.

As a scientist examining this compound, one might find it particularly compelling to explore its structure-activity relationship. Such investigations could lead to advancements in drug design and efficacy in targeting specific biological pathways.

In conclusion, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide serves as a remarkable example of how intricate chemical design can open doors to innovative scientific research and practical applications.

Synonyms
iohexol
66108-95-0
Omnipaque
Nycodenz
Exypaque
Iohexolum
Omnipaque 240
Omnipaque 70
Omnipaque 140
Omnipaque 180
Omnipaque 210
Omnipaque 300
Omnipaque 350
Oraltag
WIN 39424
WIN-39424
Iohexolum [INN-Latin]
CHEBI:31709
EINECS 266-164-2
BRN 2406632
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide
DTXSID6023157
UNII-4419T9MX03
4419T9MX03
NSC-759636
N1,N3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide
DTXCID803157
EC 266-164-2
Iohexol [USAN:USP:INN:BAN:JAN]
5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
NSC 759636
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]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
NCGC00166000-01
Iohexolum (INN-Latin)
IOHEXOL (MART.)
IOHEXOL [MART.]
IOHEXOL (USP-RS)
IOHEXOL [USP-RS]
5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
IOHEXOL (EP IMPURITY)
IOHEXOL [EP IMPURITY]
IOHEXOL (EP MONOGRAPH)
IOHEXOL [EP MONOGRAPH]
IOHEXOL (USP MONOGRAPH)
IOHEXOL [USP MONOGRAPH]
Histodenz
Iohexol (USAN:USP:INN:BAN:JAN)
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]-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
N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
SMR000857075
Iohexol 350
ioexolo
Omnipaque (TN)
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-triiodobenzene-1,3-dicarboxamide
n,n'-bis(2,3-dihydroxypropyl)-5-[n-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodoisophthalamide
Prestwick_802
Iohexol (Standard)
CAS-66108-95-0
MFCD00077732
OMNIPAQUE 9
IOHEXOL [VANDF]
IOHEXOL [USAN]
IOHEXOL [INN]
IOHEXOL [JAN]
IOHEXOL [MI]
OMNIPAQUE 12
Prestwick0_000512
Prestwick1_000512
Prestwick2_000512
Prestwick3_000512
IOHEXOL [WHO-DD]
IOHEXOL [WHO-IP]
Nycodenz;Omnipaque;Exypaque
Iohexol, analytical standard
SCHEMBL26501
BSPBio_000463
MLS001332585
MLS001332586
MLS002153854
Iohexol (JP17/USP/INN)
IOHEXOL [ORANGE BOOK]
SPBio_002384
BPBio1_000511
CHEMBL1200455
BCBcMAP01_000051
HY-B0594R
IOHEXOLUM [WHO-IP LATIN]
V08AB02
HMS1569H05
HMS2096H05
HMS2235D07
HMS3369O04
HMS3713H05
ALBB-028959
BCP31800
DMB62333
HY-B0594
Tox21_112286
BDBM50247977
s4531
AKOS015895399
Tox21_112286_1
AC-1934
CCG-220512
DB01362
FI24632
SMP1_000152
NCGC00166000-02
NCGC00166000-04
AS-12699
I0903
NS00000223
D01817
D91214
Histodenz(TM), nonionic density gradient medium
EN300-19628570
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
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
266-164-2
5-(Acetyl((2RS)-2,3-dihydroxypropyl)amino)-N-((2RS)-2,3-dihydroxypropyl)-N'-((2SR)-2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide 5-(Acetyl((2RS)-2,3-dihydroxypropyl)amino)-N,N'-bis((2SR)-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-triiodo-1,3-benzenedicarboxamide;Accudenz;Exypaque