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    (R)-(+)-Ketamine

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Arketamine, D-ketamine, (r)-(+)-ketamine, (+)-ketamine, 33643-49-1, Ketamine, r-
    Molecular Formula
    C13H16ClNO
    Molecular Weight
    237.72  g/mol
    InChI Key
    YQEZLKZALYSWHR-CYBMUJFWSA-N
    FDA UNII
    Y2RI13H7VW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
    2.1.2 InChI
    InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
    2.1.3 InChI Key
    YQEZLKZALYSWHR-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    CNC1(CCCCC1=O)C2=CC=CC=C2Cl
    2.1.5 Isomeric SMILES
    CN[C@]1(CCCCC1=O)C2=CC=CC=C2Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Y2RI13H7VW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Arketamine

    2. D-ketamine

    3. (r)-(+)-ketamine

    4. (+)-ketamine

    5. 33643-49-1

    6. Ketamine, R-

    7. Ketamine, (r)-

    8. Y2ri13h7vw

    9. (2r)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

    10. Chebi:580604

    11. (2r)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone

    12. Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2r)-

    13. J238.629a

    14. (2r)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone

    15. Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+)-

    16. (s) Ketamine

    17. Unii-y2ri13h7vw

    18. Arketamine [who-dd]

    19. Dsstox_cid_28673

    20. Dsstox_rid_82943

    21. Dsstox_gsid_48747

    22. Schembl16104

    23. Chembl467505

    24. Gtpl9153

    25. Dtxsid2048747

    26. Pcn-101

    27. Tox21_113205

    28. Zinc36294079

    29. Ncgc00185909-01

    30. Cas-33643-49-1

    31. Hr-071603

    32. Q20707684

    33. (2r)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one

    34. Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (r)-

    35. Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2r)- (9ci)

    36. Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+)- (8ci)

    37. Rke

    2.4 Create Date
    2005-06-08
    3 Chemical and Physical Properties
    Molecular Weight 237.72 g/mol
    Molecular Formula C13H16ClNO
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass237.0920418 g/mol
    Monoisotopic Mass237.0920418 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity269
    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

    (r)-ketamine has known human metabolites that include Norketamine.

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