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    Technical details about CAS 120202-68-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 120202-68-8

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    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. 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

    2D Structure

    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 Weight 554.1 g/mol
    Molecular Formula C26H32ClNO6S2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass553.1359578 g/mol
    Monoisotopic Mass553.1359578 g/mol
    Topological Polar Surface Area138 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity785
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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