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    CAS 27262-40-4

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 27262-40-4, (s)-n-(2,6-dimethylphenyl)piperidine-2-carboxamide, 2-piperidinecarboxamide, n-(2,6-dimethylphenyl)-, (2s)-, (2s)-n-(2,6-dimethylphenyl)-2-piperidinecarboxamide, 2',6'-pipecoloxylidide, (+)-, Demethylmepivacaine, (+)-
    Molecular Formula
    C14H20N2O
    Molecular Weight
    232.32  g/mol
    InChI Key
    SILRCGDPZGQJOQ-LBPRGKRZSA-N
    FDA UNII
    4A8HC6M4AL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
    2.1.3 InChI Key
    SILRCGDPZGQJOQ-LBPRGKRZSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2
    2.1.5 Isomeric SMILES
    CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCCCN2
    2.2 Other Identifiers
    2.2.1 UNII
    4A8HC6M4AL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 27262-40-4

    2. (s)-n-(2,6-dimethylphenyl)piperidine-2-carboxamide

    3. 2-piperidinecarboxamide, N-(2,6-dimethylphenyl)-, (2s)-

    4. (2s)-n-(2,6-dimethylphenyl)-2-piperidinecarboxamide

    5. 2',6'-pipecoloxylidide, (+)-

    6. Demethylmepivacaine, (+)-

    7. Desbutylbupivacaine, (+)-

    8. (2s)-n-(2,6-dimethylphenyl)piperidine-2-carboxamide

    9. L-pipecolic Acid 2,6-xylidide

    10. 4a8hc6m4al

    11. (s)-n-(2',6'-dimethylphenyl)-2-piperidine Carboxamide

    12. (s)-n-(2',6'-dimethylphenyl)piperidine-2-carboxylic Amide

    13. (s)-n-(2',6'-dimethylphenl)-2-piperidine Carboxamide

    14. Unii-4a8hc6m4al

    15. Mfcd09038786

    16. (2s)-n-(2,6-dimethylphenyl)-2-piperidinecarboxamide)

    17. (2s)-pipecoloxylidide

    18. N-despropyl Ropivacaine

    19. (+)-2',6'-pipecoloxylidide

    20. (s)-2',6'-pipecoloxylidide

    21. Schembl2616379

    22. Chebi:80578

    23. Dtxsid10181713

    24. Bcp22660

    25. Zinc84316941

    26. Akos015919828

    27. Akos030228178

    28. Ac-2122

    29. Am62797

    30. Cs-w003585

    31. Ds-0592

    32. Fs-2874

    33. (s)-n-(2 Inverted Exclamation Marka,6 Inverted Exclamation Marka-dimethylphenl)-2-piperidine Carboxamide

    34. D4347

    35. 262d404

    36. Q-100343

    37. Q27149622

    38. Ropivacaine Hydrochloride Monohydrate Impurity B [ep Impurity]

    39. (s)-n-(2 Inverted Exclamation Mark ,6 Inverted Exclamation Mark -dimethylphenyl)-piperidine-2- Carboxylic Amide

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 232.32 g/mol
    Molecular Formula C14H20N2O
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass232.157563266 g/mol
    Monoisotopic Mass232.157563266 g/mol
    Topological Polar Surface Area41.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    PPX is a known human metabolite of ropivacaine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560