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Iohexol

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

At room temperature, Iohexol is typically in a solid state as a powder. In clinical settings, it is commonly found as a liquid solution due to its use as a contrast agent for imaging procedures.

Melting point (Celsius)
167.00
Melting point (Kelvin)
440.15
Boiling point (Celsius)
170.00
Boiling point (Kelvin)
443.15
General information
Molecular weight
821.14g/mol
Molar mass
821.1430g/mol
Density
2.0600g/cm3
Appearence

Iohexol appears as a white to off-white crystalline powder. It is often encountered in solution form for medical applications, typically as a clear, colorless to pale yellow liquid.

Comment on solubility

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

The solubility of the compound C19H26I3N3O9 can be influenced by several factors. This specific compound is characterized by its complex structure, which includes multiple functional groups that play a role in its solubility characteristics.

Factors Affecting Solubility

  • Polarity: The presence of hydroxyl (-OH) groups in the structure generally increases polarity, which can enhance solubility in polar solvents such as water.
  • Molecular Weight: With a relatively high molecular weight, solubility may decrease in smaller volatile solvents but could increase in more viscous or larger organic solvents.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds with solvents can greatly affect solubility. This compound has multiple hydrogen-bonding sites, potentially leading to increased solubility in polar environments.

In summary, while this compound may show good solubility in polar solvents, the presence of bulky iodine substituents can hinder solubility in non-polar solvents. Understanding these characteristics is crucial for applications in various fields, including pharmaceuticals and materials science. It is always recommended to check specific solubility data under defined conditions to attain reliable usage information.

Interesting facts

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

N1,N3-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide is a fascinating compound that showcases the intricate connection between organic and medicinal chemistry. Here are some key points that highlight its significance:

  • Iodine Incorporation: This compound features three iodine atoms integrated into its structure, highlighting its potential use as a radiocontrast agent. Iodine's high atomic number makes it useful for enhancing the contrast of imaging techniques such as X-ray and CT scans.
  • Biomedical Applications: The unique arrangement of amide linkages alongside hydroxyl-propyl groups makes this compound an interesting candidate for drug development. These functional groups can enhance solubility and bioavailability, which are critical aspects in pharmaceuticals.
  • Synthetic Complexity: The synthesis of N1,N3-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide is a testament to the advancements in chemical synthesis techniques. It often involves multiple steps, including selective functionalization and purification processes.
  • Research Potential: Due to its structural complexity, it serves as a target for research into new therapeutic agents, possibly leading to innovations in treating various conditions, especially in imaging and targeted drug delivery.

In summary, this compound is not just a chemical entity; it embodies the synergy of structure and function that is essential in modern chemistry. As a student or scientist, delving into its properties and potential applications can unveil a world of possibilities in medicinal chemistry and material science.

Synonyms
ioversol
87771-40-2
Optiray
MP-328
Ioversolum
Optiray 160
Optiray 240
Optiray 350
1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((hydroxyacetyl)(2-hydroxyethyl)amino)-2,4,6-triiodo-
Ioversolum [Latin]
MP 328
UNII-N3RIB7X24K
N3RIB7X24K
BRN 7155654
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
DTXSID2045521
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)glycolamido)-2,4,6-triiodoisophthalamide
DTXCID0025521
Ioversol [USAN:USP:INN:BAN]
Optiray 320
Ioversolum (Latin)
IOVERSOL (MART.)
IOVERSOL [MART.]
IOVERSOL (USP-RS)
IOVERSOL [USP-RS]
8771-40-2
Optiray 300
IOVERSOL (USP MONOGRAPH)
IOVERSOL [USP MONOGRAPH]
Ioversol (USAN:USP:INN:BAN)
N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-(2-hydroxyethyl)acetamido)-2,4,6-triiodoisophthalamide
LOVERSOL
ioversolo
NCGC00016956-01
N,N'-Bis (2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl) -glycolamido) -2,4,6-triiodoisophthalamide
N,N'-Bis (2,3-dihydroxypropyl)-5-[N-(2-hydroxyethyl) -glycolamido] -2,4,6-triiodoisophthalamide
Optiray300
Optiray320
Optiray350
Optiray (TN)
CAS-87771-40-2
IOVERSOL [USAN]
IOVERSOL [INN]
IOVERSOL [JAN]
IOVERSOL [MI]
IOVERSOL [VANDF]
Prestwick0_000878
Prestwick1_000878
Prestwick2_000878
Prestwick3_000878
IOVERSOL [WHO-DD]
Ioversol (JAN/USP/INN)
SCHEMBL24711
BSPBio_000955
SPBio_002876
IOVERSOL [ORANGE BOOK]
BPBio1_001051
CHEMBL1200614
CHEBI:31717
V08AB07
AMDBBAQNWSUWGN-UHFFFAOYSA-N
HMS1570P17
HMS2097P17
HMS3714P17
Pharmakon1600-01503837
BCP11109
HY-B1410
Tox21_110709
AC-536
NSC760064
s5013
AKOS015896385
Tox21_110709_1
CCG-213209
CS-7483
DB09134
FI24641
NSC-760064
NCGC00179364-01
NCGC00179364-03
AS-12851
AB00513943
NS00008942
D01555
G12764
AB00513943_02
EN300-19767831
SR-01000872680
Q6064187
SR-01000872680-1
BRD-A65818372-001-01-2
BRD-A65818372-001-05-3
N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2
N1,N3-bis(2,3-dihydroxypropyl)-5-[2-hydroxy-N-(2-hydroxyethyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide