CLOPIDOGREL CARBOXYLIC ACID
- Iupac Name：(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
- CAS No.: 144457-28-3
- Molecular Weight：307.7952
- Modify Date.: 2022-11-07 00:28
- Introduction: A metabolite of the drug Clopidogrel CLOPIDOGREL CARBOXYLIC ACIDSupplier
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1. Names and Identifiers
- 1.1 Name
- CLOPIDOGREL CARBOXYLIC ACID
- 1.2 Synonyms
(S)-Clopidogrel Carboxylic Acid Clopidogrel EP Impurity A ((S)-Clopidogrel Carboxylic Acid) Clopidogrel EP Impurity A1 Clopidogrel Impurity 1/Clopidogrel EP Impurity A/(S)-Clopidogrel Carboxylic Acid/(S)-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid Clopidogrel Impurity A1 CLOPIDOGREL-1
- 1.3 CAS No.
- 144457-28-3
- 1.4 CID
- 9861403
- 1.5 Molecular Formula
- C15H14ClNO2S (isomer)
- 1.6 Inchi
- InChI=1S/C15H14ClNO2S/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)/t14-/m0/s1
- 1.7 InChkey
- DCASRSISIKYPDD-AWEZNQCLSA-N
- 1.8 Canonical Smiles
- C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O
- 1.9 Isomers Smiles
- C1CN(CC2=C1SC=C2)[C@@H](C3=CC=CC=C3Cl)C(=O)O
2. Properties
- 2.1 Density
- 1.405
- 2.1 Melting point
- 139-141 °C
- 2.1 Boiling point
- 447.3 °C at 760 mmHg
- 2.1 Refractive index
- 1.658
- 2.1 Flash Point
- 224.3 °C
- 2.1 Precise Quality
- 307.04300
- 2.1 PSA
- 68.78000
- 2.1 logP
- 3.52340
- 2.1 Appearance
- light-tan solid
- 2.2 Chemical Properties
- Light-Tan Solid
- 2.3 Color/Form
- Powder
- 2.4 pKa
- 1.61±0.10(Predicted)
3. Use and Manufacturing
- 3.1 Usage
- A metabolite of the drug Clopidogrel CLOPIDOGREL CARBOXYLIC ACIDSupplier
4. Safety and Handling
- 4.1 Specification
-
Clopidogrel Carboxylic Acid (CAS NO.144457-28-3) is also named as (S)-α-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic Acid . Clopidogrel Carboxylic Acid (CAS NO.144457-28-3) is light-tan solid.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
144457-28-3Total: 7 Synthesis Route
8. Other Information
- 8.0 Chemical Properties
- Light-Tan Solid
- 8.1 Uses
- A metabolite of the drug Clopidogrel
9. Computational chemical data
- Molecular Weight: 307.7952 g/mol
- Molecular Formula: C15H14ClNO2S
- Compound Is Canonicalized: True
- XLogP3-AA: 1.1
- Exact Mass: 307.0433776
- Monoisotopic Mass: 307.0433776
- Complexity: 368
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 68.8
- Heavy Atom Count: 20
- 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: 1
- CACTVS Substructure Key Fingerprint: AAADccByMABEAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAFgBwAAAHgYACAAADCrF2CSwCYMAAgiMAiDSCACDAIAgDRBIiBmIBogKIDKhlzGEYAhkwAG4iAeYyKCOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==
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