Ioversol | CAS No. 87771-40-2

Ioversol

Basic Information

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CAS Number

87771-40-2

Molecular Formula

C18H24I3N3O9

Molecular Weight

807.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

190-207°C

Density

1.371

SMILES

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C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO

InChI

InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)

InChIKey

AMDBBAQNWSUWGN-UHFFFAOYSA-N

LogP

-2.0159999999999987

Topological Polar Surface Area

199.89 Å²

Hydrogen Bond Donor/Acceptor

8 / 12

Complexity

623

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in mice, rats, rabbits, dogs (gI/kg): 17, 15, >25, >12 i.v.; in male, female rats (mgI/kg): 1000, >1200 intracisternally (Ralston)

Synonyms & References

English

Ioversol
n,n'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
MP-328
[N,N'-bis-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodoisophthalamide]
Ioversolum [Latin]
N,N'-bis(2,3-dihydroxypropyl)-5[(hydroxyacetyl)-(2-hydroxyethyl)-amino]-2,4,6-triiodo-1,3-benzenedicarboxamide
N,N'-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxyethyl)glycolamido]-2,4,6-triiodoisophthalamide
Optiray
Optiray 160
Optiray 240
Optiray 320
Optiray 350
UNII-N3RIB7X24K
N,N′-Bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide
N,N′-Bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxyethyl)glycolamido]-2,4,6-triiodoisophthalamide
1,3-Benzenedicarboxamide, N,N′-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI)
N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide (ACI)
1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
MP 328
P 530
P 530 (contrast agent)
N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-(2-hydroxyethyl)acetamido)-2,4,6-triiodoisophthalamide
NCGC00179364-03
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)glycolamido)-2,4,6-triiodoisophthalamide
SR-01000872680
IOVERSOL [USAN]
IOVERSOL [USP MONOGRAPH]
NS00008942
AKOS015896385
Q6064187

MDL Number

MFCD00867959

FAQ

What are the physical and chemical properties of Ioversol (CAS: 87771-40-2)?

Ioversol is a water-soluble, nonionic contrast agent with a molecular weight of approximately 578.69 g/mol. It is highly soluble in water and has low reactivity. Ioversol forms a crystalline structure, making it stable under normal storage conditions. It is commonly used in medical imaging due to its low toxicity and ability to enhance image contrast.

How is Ioversol (CAS: 87771-40-2) typically synthesized?

Ioversol is synthesized through a multi-step process involving the reaction of benzyl alcohol with iodine, followed by a series of coupling reactions and derivatization. The process requires the use of catalysts and solvents, with high selectivity and yield, leading to the formation of the desired product. The final step involves purifying the compound to ensure high purity.

What industries use Ioversol (CAS: 87771-40-2)?

Ioversol is primarily used in the healthcare industry, particularly in radiology and cardiology departments for diagnostic imaging. It is also utilized in pharmaceutical research and development for various medical applications. Its use in other industries is limited due to its specialized application in medical imaging.

What precautions should be taken when handling Ioversol (CAS: 87771-40-2)?

When handling Ioversol, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate decontamination methods, and the material safety data sheet (MSDS) should be consulted for detailed safety information. Proper storage in a cool, dry place away from heat and direct sunlight is also necessary.