(±)-Clopidogrel hydrochloride - ≥99%(HPLC) , CAS No.130209-90-4

CAS: 130209-90-4 Cat. No.: C287321 Fórmula: C₁₆H₁₆NO₂SCl·HCl Peso molecular: 358.28

GRADE & PURITY ≥99%(HPLC)

Synonyms

(+/-)-Clopidogrel hydrochloride | Methyl 2-(4,5,6,7-tetrahydrothieno[3,2-c]p yridin-5-yl)-2-(2-chlorophenyl)acetate hydrochloride | methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride | C16H16NO2SCl.HCl | Thieno[3,2

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(+/-)-Clopidogrel hydrochloride | Methyl 2-(4,5,6,7-tetrahydrothieno[3,2-c]p yridin-5-yl)-2-(2-chlorophenyl)acetate hydrochloride | methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride | C16H16NO2SCl.HCl | Thieno[3,2

Especificações e pureza

≥99%(HPLC)

Mecanismos bioquímicos e fisiológicos

Selective, high affinity P2Y12receptor antagonist (pKi= 6.9 for hP2Y12receptor). Inhibits ADP-induced platelet aggregation; potent antithrombotic agent. Requires bioactivation, unlikePSB 0739.Active Enantiomeralso available.

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%(HPLC)

Nomes e identificadores

Pubchem Sid

504769218

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769218

Sorrisos canónicos

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.Cl

IUPAC Name

methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;hydrochloride

InChIKey

XIHVAFJSGWDBGA-UHFFFAOYSA-N

INCHI

1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;/h2-5,7,9,15H,6,8,10H2,1H3;1H

SMILES isoméricas

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.Cl

Peso molecular

358.28

Reaxy-Rn

11507770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11507770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Thienopyridines Aralkylamines Chlorobenzenes Aryl chlorides Pyridines and derivatives Methyl esters Heteroaromatic compounds Thiophenes Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Thienopyridine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 35.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 35.83, Max Conc. mM: 100
• Peso molecular: 358.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 357.036 Da
• Monoisotopic Mass: 357.036 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 381.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 130209-90-4, the molecular formula is C16H16NO2SCl·HCl, and the molecular weight is 358.28 g/mol. InChIKey XIHVAFJSGWDBGA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.