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Home/Compounds/CAS 163706-36-3
Formula C17H21Cl2F3N5Na4O12P3S2MW 864.3Research-use catalog entryCOA/SDS by request

Cangrelor Tetrasodium

CAS Number: 163706-36-3

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Loading RDKit molecule structure...
InChIKey: COWWROCHWNGJHQ-OPKBHZIBSA-JC17H21Cl2F3N5Na4O12P3S2 | MW 864.3

Chemical Absolute Identifiers

CAS Number

163706-36-3

PubChem CID

10260031

Molecular Formula

C17H21Cl2F3N5Na4O12P3S2

Molecular Weight

864.3 g/mol

Exact Mass

862.876092

InChIKey

COWWROCHWNGJHQ-OPKBHZIBSA-J

IUPAC Name

tetrasodium;[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate

SMILES String

CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+]

Physical Properties

No physical property values available.

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

Catalog Facts

Structural features

Cangrelor Tetrasodium (CAS 163706-36-3) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C17H21Cl2F3N5Na4O12P3S2 and molecular weight 864. 30 g/mol.

Sourcing context

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

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

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Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Cangrelor Tetrasodium

Names & Synonyms

kengrexalCangrelor tetrasodium saltCangrelor Tetrasodium [USAN]5'-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, anhydride with P,P'-(dichloromethylene)bis[phosphonic acid], sodium salt (1:1:4)Cangrelor tetrasodium (USAN)
Show all synonyms
tetrasodium 5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosineAR-C 69931AR-C 69931 (tetrasodium)Kengreal (TN)CANGRELOR TETRASODIUM [MART.]C17H21Cl2F3N5Na4O12P3S2CANGRELOR TETRASODIUM [WHO-DD]CANGRELOR TETRASODIUM SALT [MI](Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3,3,3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride, tetrasodium salt5'-Adenylic acid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with (dichloromethylene)bis(phosphonic acid), tetrasodium salt5'-Adenylic acid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with(dichloromethylene)bis(phosphonic acid), tetrasodium saltN-(2-(Methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-5'-adenylic acid, monoanhydride with (dichloromethylene)diphosphonic acid tetrasodium saltN-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-5'-adenylic acid monoanhydride with (Dichloromethylene)bis[phosphonic acid] tetrasodium
External Identifiers
EC NUMBER: 813-784-1DSSTOX SUBSTANCE ID: DTXSID50167652CHEMBL ID: CHEMBL1097279CHEBI ID: CHEBI:90836UNII: 2144G00Y7WKEGG ID: D03361NCI THESAURUS CODE: C76396
Literature & Patent References
DOI 10.1016/j.ejmech.2012.03.047Synthesis of N6-alkyl(aryl)-2-alkyl(aryl)thioadenosines as antiplatelet agents.PMID 22531380Synthesis of N6-alkyl(aryl)-2-alkyl(aryl)thioadenosines as antiplatelet agents.DOI 10.1021/jm901691yFrontal affinity chromatography-mass spectrometry useful for characterization of new ligands for GPR17 receptor.PMID 20394377Frontal affinity chromatography-mass spectrometry useful for characterization of new ligands for GPR17 receptor.

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

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What happens after RFQ

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

Text Reference Cues

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Non-public related references

N-(2-(Methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-6-amineCAS 1830294-25-1
AdenosineCAS 58-61-7
adenosine-N-oxideCAS 146-92-9
4,6-Dichloro-2-((3,3,3-trifluoropropyl)thio)pyrimidin-5-amineCAS 1830294-22-8

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

Catalog navigation

Related Catalog Entries

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

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 163706-36-3

What are the key identifiers for Cangrelor Tetrasodium (CAS 163706-36-3)?

Cangrelor Tetrasodium is identified by CAS 163706-36-3, with molecular formula C17H21Cl2F3N5Na4O12P3S2, molecular weight 864.3, InChIKey COWWROCHWNGJHQ-OPKBHZIBSA-J.

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