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    Promethazine Teoclate

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 100Xls

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    2D Structure
    Also known as: 17693-51-5, Promethazine 8-chlorotheophyllinate, S5pup23u26, Promethawern, Avopreg, Theophylline, 8-chloro-, compd. with 10-(2-dimethylaminopropyl)phenothiazine
    Molecular Formula
    C24H27ClN6O2S
    Molecular Weight
    499.0  g/mol
    InChI Key
    YCXARMXCESBEDS-UHFFFAOYSA-N
    FDA UNII
    S5PUP23U26
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
    2.1.2 InChI
    InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)
    2.1.3 InChI Key
    YCXARMXCESBEDS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    S5PUP23U26
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 17693-51-5

    2. Promethazine 8-chlorotheophyllinate

    3. S5pup23u26

    4. Promethawern

    5. Avopreg

    6. Theophylline, 8-chloro-, Compd. With 10-(2-dimethylaminopropyl)phenothiazine

    7. 8-chloro-1,3-dimethyl-7h-purine-2,6-dione;n,n-dimethyl-1-phenothiazin-10-ylpropan-2-amine

    8. Promethazini Teoclas [inn-latin]

    9. Promethazini Teoclas

    10. Promethazine Chlorotheophyllinate

    11. Teoclato De Prometazina

    12. Teoclate De Promethazine

    13. Einecs 241-691-0

    14. Teoclate De Promethazine [inn-french]

    15. Teoclato De Prometazina [inn-spanish]

    16. Unii-s5pup23u26

    17. Avomine (tn)

    18. Promethazine Teoclate [inn:ban:jan]

    19. Promethazine Compd. With 8-chlorotheophylline

    20. 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Compd. With N,n,alpha-trimethyl-10h-phenothiazine-10-ethanamine (1:1)

    21. Schembl2143003

    22. Chembl3833361

    23. Chebi:32059

    24. Promethazine Teoclate (jan/inn)

    25. Promethazine Teoclate [inn]

    26. Promethazine Teoclate [jan]

    27. Promethazine Teoclate [mart.]

    28. 10-(2-dimethylaminopropyl)phenothiazine Compound Of 8-chlorotheophylline

    29. Promethazine Teoclate [who-dd]

    30. Theophylline, 8-chloro-, Compd. With 10-(2-(dimethylamino)propyl)phenothiazine (1:1)

    31. 1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, Compd. With N,n,alpha-trimethyl-10h-phenothiazine-10-ethanamine (1:1)

    32. D01242

    33. 693p515

    34. Promethazine Compd With 8-chlorotheophylline

    35. Q27288678

    36. Promethazine Compd With 8-chlorotheophylline [mi]

    37. 1h-purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-, Compd. With N,n,.alpha.-trimethyl-10h-phenothiazine-10-ethanamine (1:1)

    38. Phenothiazine, 10-(2-(dimethylamino)propyl)-, Compd. With 8-chlorotheophylline (1:1)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 499.0 g/mol
    Molecular Formula C24H27ClN6O2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass498.1604730 g/mol
    Monoisotopic Mass498.1604730 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity596
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2