Dorra Pharma | CAS 120202-68-8 | Related Intermediates | Manufacturers & Suppliers

CAS 120202-68-8

Chemistry, 2 End Use API, 24 Related Intermediates

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Also known as: 120202-68-8, Clopidogrelcamphorsulfonate, 2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)acetic acid,(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid, F21438, 202c688, [(1r,4s)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;methyl (2s)-2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)acetate

Molecular Formula

C₂₆H₃₂ClNO₆S₂

Molecular Weight

554.1 g/mol

InChI Key

XEENARPWPCQXST-LGPMUQLOSA-N

1 2D Structure

CAS 120202-68-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

2.1.2 InChI

InChI=1S/C16H16ClNO2S.C10H16O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,7,9,15H,6,8,10H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t15-;7-,10-/m00/s1

2.1.3 InChI Key

XEENARPWPCQXST-LGPMUQLOSA-N

2.1.4 Canonical SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

2.1.5 Isomeric SMILES

CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C.COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 120202-68-8

2. Clopidogrelcamphorsulfonate

3. 2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)acetic Acid,(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic Acid

4. F21438

5. 202c688

6. [(1r,4s)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic Acid;methyl (2s)-2-(2-chlorophenyl)-2-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)acetate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₂ClNO₆S₂
Molecular Weight	554.1 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	553.1359578 g/mol
Monoisotopic Mass	553.1359578 g/mol
Topological Polar Surface Area	138 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	785
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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4,5,6,7-Tetrahydrothieno[3,2,C]Pyridine Hcl

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CAS Number

28783-41-7

End Use API

Clopidogrel

About the Company

Dorrapharma is engaged in R&D, manufacture and market of intermediate, API (Active Pharmaceutical Ingredi...

Dorrapharma is engaged in R&D, manufacture and market of intermediate, API (Active Pharmaceutical Ingredients) and formulation. We stick to raise the value both for the company and customer, and strive for serving for the society and caring of the others. We devote ourselves completely to the technology innovation and brand build, and make every effort to foster the core competence for the company. We are in a progress of becoming a global leading pharmaceutical server.

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