Clopidogrel - Moligand™,≥97% , CAS No.113665-84-2

CAS: 113665-84-2 Cat. No.: M637412 Molecular Weight: 321.82 EC Number: 601-269-2

GRADE & PURITY Moligand™, ≥97%

Synonyms

(+)-Clopidogrel | (S)-Clopidogrel | CHEBI:37941 | Clopidogrel Acino | Clopidogrel Hexal | UNII-A74586SNO7 | SR 25990 | clopidogrel | HSDB 7430 | Clopidogrel bisulfate | Clopidogrel 1A Pharma | Plavix | R 130964 | Clopidogrel Winthrop | Thrombo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.

Specifications

Synonyms

(+)-Clopidogrel | (S)-Clopidogrel | CHEBI:37941 | Clopidogrel Acino | Clopidogrel Hexal | UNII-A74586SNO7 | SR 25990 | clopidogrel | HSDB 7430 | Clopidogrel bisulfate | Clopidogrel 1A Pharma | Plavix | R 130964 | Clopidogrel Winthrop | Thrombo

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
• IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
• InChIKey: GKTWGGQPFAXNFI-HNNXBMFYSA-N
• INCHI: 1S/C16H16ClNO2S/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/t15-/m0/s1
• Isomeric SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
• Alternate CAS: 113665-84-2
• NSC Number: 748298
• MeSH Entry Terms: clopidogrel;clopidogrel besilate;clopidogrel besylate;clopidogrel bisulfate;clopidogrel hydrochloride;Clopidogrel Mepha;clopidogrel napadisilate;clopidogrel Sandoz;clopidogrel, (+)(S)-isomer;clopidogrel-Mepha;Iscover;PCR 4099;PCR-4099;Plavix;SC 25989C;SC
• Molecular Weight: 321.82
• Reaxy-Rn: 9709294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9709294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• 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 - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: 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: methyl ester - monochlorobenzenes - thienopyridine

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

Associated Targets(Human)

CYP2B6 Tchem Cytochrome P450 2B6 (2 Activities)

Discover Target: CYP2B6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A4 Tclin Sodium-dependent serotonin transporter (2 Activities)

Discover Target: SLC6A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Sensitivity: Sensitive to humidity;Air sensitive;Heat sensitive
• Molecular Weight: 321.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 321.059 Da
• Monoisotopic Mass: 321.059 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 381.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Luyao Ma, Fangjun Yu, Di He, Lianxia Guo, Yu Yang, Wangchun Li, Tianpeng Zhang.  (2023)  Role of circadian clock in the chronoefficacy and chronotoxicity of clopidogrel.  BRITISH JOURNAL OF PHARMACOLOGY,      [PMID:37403641] [10.1111/bph.16188]

2. Shuai Ji, Xian Shao, Zhen-yu Su, Lei Ji, Yu-jie Wang, Yun-su Ma, Lu Zhao, Yan Du, Meng-zhe Guo, Dao-quan Tang.  (2019)  Segmented scan modes and polarity-based LC-MS for pharmacokinetic interaction study between Fufang Danshen Dripping Pill and Clopidogrel Bisulfate Tablet.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:31202879] [10.1016/j.jpba.2019.05.055]

3. Bo Fan, Yunfei Li, Yong Bi, Ling Tong, Dongxiang Li, Yi Wang.  (2018)  Design of multi-drug combinations for poly-pharmacological effects using composition-activity relationship modeling and multi-objective optimization approach: Application in traditional Chinese medicine.  Chemical Biology & Drug Design,  93  (6): (1073-1082).  [PMID:30230238] [10.1111/cbdd.13396]

4. Zhong Yixin, Ni Qiankun, Huang Liandi, Qing Guangchao, Zhang Fuxue, Gong Ningqiang, Wu Hongyun, Liao Yukun, Jiang Huiting, Tu Zaiqian, Wang Zhifei, Jiramonai Luksika, Zhu Haidong, Teng Gao-Jun, Liang Xing-Jie.  (2025)  Prevention of acute thrombosis with vascular endothelium antioxidative nanoscavenger.  Nature Nanotechnology,      [PMID:41174280] [10.1038/s41565-025-02046-4]