CAS 120202-68-8

Chemistry, 2 End Use API, 23 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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S(+)-2-(2-Chloropheny)-6,7-dihydrothieno (3,2- C)pyridi...

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CAS Number

120202-68-8

End Use API

Clopidogrel

About the Company

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.

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Clopidogrel

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CAS Number

120202-68-8

End Use API

Clopidogrel

About the Company

Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...

Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.

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