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Ioversol - 98%, high purity , CAS No.87771-40-2

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Ioversol - 98%, high purity , CAS No.87771-40-2

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 87771-40-2
Molecular Weight: 807.12
PubChem CID: 3741
PubChem SID: 504750707

In stock

Item Number

I347557

Grouped product items
SKU	Size	Availability	Price
I347557-100mg	100mg	3	$209.90
I347557-1g	1g	2	$427.90
I347557-5g	5g	1	$902.90
I347557-10g	10g	1	$1,496.90
I347557-25g	25g	1	$2,375.90

a radiographic contrast agent

Basic Description

Synonyms	1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide \| N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)glycolamido)-2,4,6-triiodoisophthalamide \| DTXSID2045521 \| IOVERSOL [MI] \| CHEBI:31717
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Describtion: Ioversol (MP-328) is a nonionic iodide contrast agent (CM) used in CT scans or X-rays for animal experiments. Ioversol did not damage the blood-brain barrier (BBB) .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Anilides Benzamides Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Tertiary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Alkanolamines Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organoiodides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anilide - Benzamide - Benzoyl - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Vinylogous halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Alkanolamine - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504750707
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504750707
IUPAC Name	1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
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
Smiles	C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
Isomeric SMILES	C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
Molecular Weight	807.12
Reaxy-Rn	8178799
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8178799&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
H2316080	Certificate of Analysis	Jul 31, 2023	I347557
H2316082	Certificate of Analysis	Jul 31, 2023	I347557
H2316084	Certificate of Analysis	Jul 31, 2023	I347557
H2316086	Certificate of Analysis	Jul 31, 2023	I347557
H2316088	Certificate of Analysis	Jul 31, 2023	I347557
H2316094	Certificate of Analysis	Jul 31, 2023	I347557
H2316554	Certificate of Analysis	Jul 31, 2023	I347557
H2316555	Certificate of Analysis	Jul 31, 2023	I347557
H2316092	Certificate of Analysis	Jul 31, 2023	I347557
H2316090	Certificate of Analysis	Jul 31, 2023	I347557
G2404024	Certificate of Analysis	Jul 31, 2023	I347557

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Chemical and Physical Properties

Solubility	Methanol and DMSO
Sensitivity	Light sensitive
Melt Point(°C)	180-182° C
Molecular Weight	807.100 g/mol
XLogP3	-3.000
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	806.865 Da
Monoisotopic Mass	806.865 Da
Topological Polar Surface Area	200.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	623.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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