Diatrizoate

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Purity: 98%
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Package: 25 g
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Package: 25 mg
Purity: 98%
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Loading RDKit molecule structure...

InChIKey: YVPYQUNUQOZFHG-UHFFFAOYSA-NC11H9I3N2O4 | MW 613.91

Chemical Absolute Identifiers

CAS Number

117-96-4

PubChem CID

2140

Molecular Formula

C11H9I3N2O4

Molecular Weight

613.91 g/mol

Exact Mass

613.7696

InChIKey

YVPYQUNUQOZFHG-UHFFFAOYSA-N

IUPAC Name

3,5-diacetamido-2,4,6-triiodobenzoic acid

SMILES String

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I

Physical Properties

Melting Point

3.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Diatrizoate (CAS 117-96-4) is listed in the Advanced Chemicals portfolio, with molecular formula C11H9I3N2O4 and molecular weight 613. 91 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organic Building Blocks Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 2 assays; Androgen receptor (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2B

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Alpha-2A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Androgen receptor

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.
Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

Stability / Reactivity

Carbon monoxide, carbon dioxide, hydrogen iodide, nitrogen oxides.

Disposal

Dispose of the remaining and non-recyclable solution to a licensed company.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus during firefighting.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Diatrizoate

Names & Synonyms

Diatrizoic acidamidotrizoic acidUrogranoic acidAmidotrizoateUrografin acid

Show all synonyms

UrotrastDiatDiatriazoateDiatrizoesaureAcidum amidotrizoicum3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acidAcide amidotrizoique2,4,6-Triiodo-3,5-diacetamidobenzoic acidAcidum diacetylaminotrijodbenzoicumdiatrizoic acid (anhydrous)amidotrizoic acid (anhydrous)Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-Amidotrizoic acid, anhydrousAcidum amidotrizoicum, anhydrous4-14-00-01308 (Beilstein Handbook Reference)

Literature & Patent References

DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity DOI 10.1101/2020.04.21.054387Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2 DOI 10.1016/j.drudis.2016.02.015DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.PMID 26948801DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.DOI 10.1093/toxsci/kft176A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.PMID 23956101A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

Acetrizoic AcidCAS 85-36-9

5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamideCAS 31127-80-7

2'-IodoacetanilideCAS 19591-17-4

3-Acetamido-4-methyl-2-nitrobenzoic acidCAS 7356-52-7

N-(4-bromo-2-iodophenyl)acetamideCAS 562080-91-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 85-36-9Acetrizoic Acid CAS 31127-80-75-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide CAS 106516-24-9Sertindole CAS 107724-20-9Eplerenone CAS 114-07-8Erythromycin CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate CAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acid CAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid CAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylate CAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 117-96-4

What are the key identifiers for Diatrizoate (CAS 117-96-4)?

Diatrizoate is identified by CAS 117-96-4, with molecular formula C11H9I3N2O4, molecular weight 613.91, InChIKey YVPYQUNUQOZFHG-UHFFFAOYSA-N.

Does CAS 117-96-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Androgen receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 117-96-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Diatrizoate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 117-96-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.

Catalog Facts

Structural features

Diatrizoate (CAS 117-96-4) is listed in the Advanced Chemicals portfolio, with molecular formula C11H9I3N2O4 and molecular weight 613. 91 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Biological target reference

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2B

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Alpha-2A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Androgen receptor

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.
Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

Stability / Reactivity

Carbon monoxide, carbon dioxide, hydrogen iodide, nitrogen oxides.

Disposal

Dispose of the remaining and non-recyclable solution to a licensed company.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus during firefighting.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

Text Reference Cues

Show non-linked catalog cues

Non-public related references

Acetrizoic AcidCAS 85-36-9

5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamideCAS 31127-80-7

2'-IodoacetanilideCAS 19591-17-4

3-Acetamido-4-methyl-2-nitrobenzoic acidCAS 7356-52-7

N-(4-bromo-2-iodophenyl)acetamideCAS 562080-91-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

RFQ questions for CAS 117-96-4

What are the key identifiers for Diatrizoate (CAS 117-96-4)?

Diatrizoate is identified by CAS 117-96-4, with molecular formula C11H9I3N2O4, molecular weight 613.91, InChIKey YVPYQUNUQOZFHG-UHFFFAOYSA-N.

Does CAS 117-96-4 have reported biological target evidence?

Can I request a COA for CAS 117-96-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Diatrizoate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 117-96-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.

Sourcing & RFQ

Available Options

Chemical Absolute Identifiers

Physical Properties

Catalog Facts

Applications & Classification

Safety & Handling

Handling & Storage

PPE

Stability / Reactivity

Disposal

Fire Fighting

Related Catalog Entries

RFQ questions for CAS 117-96-4

Diatrizoate

Sourcing & RFQ

Available Options

Chemical Absolute Identifiers

Physical Properties

Catalog Facts

Applications & Classification

Safety & Handling

Handling & Storage

PPE

Stability / Reactivity

Disposal

Fire Fighting

Related Catalog Entries

RFQ questions for CAS 117-96-4