CLOPIDOGREL RELATED COMPOUND A (20 MG) ((S)-(O-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRI-DINE-5(4H)-ACETIC ACID, HYDROCHLORIDE) structure

3D Mol Similar

CLOPIDOGREL RELATED COMPOUND A (20 MG) ((S)-(O-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRI-DINE-5(4H)-ACETIC ACID, HYDROCHLORIDE)

Iupac Name：(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride

CAS No.: 144750-42-5

Molecular Weight：344.26

Modify Date.: 2023-02-13 21:46

Request For Quotation

1. Names and Identifiers

1.1 Name: CLOPIDOGREL RELATED COMPOUND A (20 MG) ((S)-(O-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRI-DINE-5(4H)-ACETIC ACID, HYDROCHLORIDE)
1.2 Synonyms: (2S)-(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid (2S)-(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid hydrochloride (1:1) (S)-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic acid hydrochloride (S)-(o-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic acid, hydrochloride (S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid hydrochloride [2-Chloro(2H4)phenyl](6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid hydrochloride (1:1) Clopidogrel USP Related CoMpound A Clopidogrel acid hydrochloride Clopidogrel EP Impurity A HCl Clopidogrel Impurity 1 Clopidogrel Impurity 2/Clopidogrel EP Impurity A HCl/(S)-Clopidogrel Acid Hydrochloride/(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno-[3,2-c]pyridin-5(4H)-yl)acetic acid hydrochloride Clopidogrel Related CoMpound A Clopidogrel Related Compound A (20 mg) ((S)-(ochlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-aceticv acid, hydrochloride) Clopidogrel Related CoMpound A,(S)-(o-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic acid, hydrochloride Clopidogrel Related Compound C Clopidogrel USP Related Compound A Methyl (2R)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate sulfate (1:1) methyl (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate,sulfuric acid MFCD28505494 racemic clopidogrel acid hydrochloride labeled d4 Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)- Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-, hydrochloride (1:1) Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αR)-, sulfate (1:1) Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(6-chlorophenyl-2,3,4,5-d4)-6,7-dihydro-, hydrochloride (1:1)

1.3 CAS No.: 144750-42-5

1.4 CID: 45358950

1.5 EINECS(EC#): 604-442-0

1.6 Molecular Formula: C15H14ClNO2S.ClH (isomer)

1.7 Inchi: InChI=1/C15H14ClNO2S.ClH/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13;/h1-4,6,8,14H,5,7,9H2,(H,18,19);1H/t14-;/s2

1.8 InChkey: FOKSIOUPGDBSLC-RCHMGCFPNA-N

1.9 Canonical Smiles: Cl.OC(=O)[C@@H](N1CCC2=C(C1)C=CS2)C1=C(Cl)C=CC=C1

1.10 Isomers Smiles: C1CN(CC2=C1SC=C2)[C@@H](C3=CC=CC=C3Cl)C(=O)O.Cl

2. Properties

2.1 Density: 1.4±0.1 g/cm3

2.1 Melting point: 147-155°C (dec.)

2.1 Boiling point: 447.3±45.0 °C at 760 mmHg

2.1 Refractive index: 1.658

2.1 Flash Point: 224.3±28.7 °C

2.1 Precise Quality: 343.02000

2.1 PSA: 68.78000

2.1 logP: 4.32540

2.1 Appearance: OFF-WHITE POWDER

2.2 StorageTemp: Inert atmosphere,Room Temperature

3. Safety and Handling

3.1 Symbol: GHS07

3.1 Signal Word: Warning

3.1 Hazard Declaration: H302

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P264, P270, P301+P312, P330, P501

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Synthesis Route

144750-42-5Total: 2 Synthesis Route

144457-28-3 16 Suppliers

144750-42-5 24 Suppliers

Literatures:
HANMI PHARM. CO., LTD. Patent: WO2006/137628 A1, 2006 ; Location in patent: Page/Page column 13 ;
Yield: ~90%

113665-84-2 310 Suppliers

144750-42-5 24 Suppliers

Literatures:
WO2008/34912 A2, ; Page/Page column 51 ;
Yield: null

6. Precursor and Product

precursor:

113665-84-2

144457-28-3

product :

113665-84-2

7. Other Information

7.0 Uses: Clopidogrel Carboxylic Acid Hydrochloride (Clopidogrel EP Impurity A; Clopidogrel Impurity A; Clopidogrel USP A) is the hydrochloride salt of a metabolite of the drug Clopidogrel.

8. Computational chemical data

Molecular Weight: 344.26g/mol
Molecular Formula: C₁₅H₁₄ClNO₂S.ClH
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 343.0200553
Monoisotopic Mass: 343.0200553
Complexity: 368
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 68.8
Heavy Atom Count: 21
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADccByMABGAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAFgBwAAAHgYACAAADCrF2CSwCYMAAgiMAiDSCACDAIAgDRBIiBmIBogKIDKhlzGEYAhkwAG4iAeYyKCOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

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10. Realated Product Infomation

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