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    Tianeptine Sodium

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    ANALYTICAL

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    2D Structure
    Also known as: Tianeptine sodium salt, 30123-17-2, Stablon, Coaxil, Tatinol, Tianeptine (sodium salt)
    Molecular Formula
    C21H24ClN2NaO4S
    Molecular Weight
    458.9  g/mol
    InChI Key
    ZLBSUOGMZDXYKE-UHFFFAOYSA-M
    FDA UNII
    ROJ48D5596
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate
    2.1.2 InChI
    InChI=1S/C21H25ClN2O4S.Na/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28;/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26);/q;+1/p-1
    2.1.3 InChI Key
    ZLBSUOGMZDXYKE-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    ROJ48D5596
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3-chloro-6-methyl-5,5-dioxo-6,11-dihydrodibenzo(c,f)(1,2)thiazepin-11-yl)-7-aminoheptanoic Acid

    2. Coaxil

    3. Stablon

    4. Tianeptine

    5. Tianeptine, (+-)-isomer

    6. Tianeptine, Monosodium Salt

    7. Tianeptine, Monosodium Salt, (+-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. Tianeptine Sodium Salt

    2. 30123-17-2

    3. Stablon

    4. Coaxil

    5. Tatinol

    6. Tianeptine (sodium Salt)

    7. 169293-32-7

    8. Tianeptine Sodium Salt Hydrate

    9. (+)-tianeptine Monosodium Salt

    10. Tianeptine Sodium, (+)-

    11. Sodium;7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate

    12. S-1574

    13. 30123-17-2 (sodium)

    14. Yg0e19592i

    15. 7li031265r

    16. Ncgc00167725-01

    17. Stablon (tn)

    18. Sodium 7-((3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoate

    19. Chembl2361572

    20. 7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic Acid S,s-dioxide Sodium Salt

    21. Heptanoic Acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, Monosodium Salt, (+)-

    22. Heptanoic Acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, S,s-dioxide, Monosodium Salt, (+)-

    23. C21h24cln2nao4s

    24. Unii-yg0e19592i

    25. Tianeptine Na

    26. Coaxil Sodium Salt

    27. 7-[[3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl]amino]heptanoic Acid S,s-dioxide Sodium Salt

    28. Sodium 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoate

    29. Einecs 250-059-3

    30. Einecs 259-091-2

    31. Tianeptine Sodium- Bio-x

    32. Dsstox_cid_26737

    33. Dsstox_rid_81866

    34. Dsstox_gsid_46737

    35. 54317-11-2

    36. Amy393

    37. Schembl2433840

    38. Dtxsid4046737

    39. Unii-7li031265r

    40. Tianeptine Sodium [mart.]

    41. Hms3268b13

    42. Hms3412p12

    43. Hms3651g11

    44. Hms3676p12

    45. Hms3884o15

    46. Roj48d5596

    47. Tianeptine Sodium, (-)-

    48. Tianeptine Sodium [who-dd]

    49. Bcp10100

    50. Tianeptine Sodium Salt [mi]

    51. Tox21_112580

    52. (e)-n-(3-chlorobenzylidene)aniline

    53. Ac-930

    54. Hy-90003a

    55. S1436

    56. Akos015900612

    57. Ccg-269325

    58. Cs-0434

    59. Ks-1218

    60. Tianeptine Sodium [ep Monograph]

    61. Bt164468

    62. Sodium (1)-7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,s-dioxide

    63. Cas-30123-17-2

    64. Ft-0630553

    65. Ft-0675217

    66. Sw219882-1

    67. T3131

    68. D08589

    69. A820215

    70. Q-100384

    71. 7-[(3-chloro-6,11-dihydro-6-methyl- 5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino] Heptanoic Acid Sodium Salt

    72. 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic Acid Sodium Salt

    73. 7-[(3-chloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine-11-yl)amino]heptanoic Acid S,s Dioxide Sodium Salt Hydrate

    74. 7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate; Sodium

    75. Heptanoic Acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, Monosodium Salt, (-)-

    76. Heptanoic Acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, Sodium Salt (1:1)

    77. Sodium 7-(((11 Rs)-3-chloro-6-methyl-6,11-dihydrodibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,s-dioxide

    78. Sodium;7-[(3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][1,2]benzothiazepin-11-yl)amino]heptanoate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 458.9 g/mol
    Molecular Formula C21H24ClN2NaO4S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass458.1043004 g/mol
    Monoisotopic Mass458.1043004 g/mol
    Topological Polar Surface Area97.9 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity660
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antidepressive Agents, Tricyclic

    Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system. (See all compounds classified as Antidepressive Agents, Tricyclic.)