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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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2-thiophene ethylamine

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CAS Number

30433-91-1

End Use API

Clopidogrel

About the Company

We specialize in the supply of API and API related intermediates and services. A significant part of our ...

We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.

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