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    Doxycycline Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 10592-13-9, Doxycycline hcl, Doxycycline, hcl, Doxylin, Doxycycline hyclate, Doxycycline (hydrochloride)
    Molecular Formula
    C22H25ClN2O8
    Molecular Weight
    480.9  g/mol
    InChI Key
    PTNZGHXUZDHMIQ-CVHRZJFOSA-N
    FDA UNII
    4182Z6T2ET
    A synthetic tetracycline derivative with similar antimicrobial activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
    2.1.3 InChI Key
    PTNZGHXUZDHMIQ-CVHRZJFOSA-N
    2.1.4 Canonical SMILES
    CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4182Z6T2ET
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4s-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-

    2. Alpha 6 Deoxyoxytetracycline

    3. Alpha-6-deoxyoxytetracycline

    4. Atridox

    5. Bmy 28689

    6. Bmy-28689

    7. Bmy28689

    8. Bu 3839t

    9. Bu-3839t

    10. Bu3839t

    11. Doryx

    12. Doxycycline

    13. Doxycycline Calcium

    14. Doxycycline Calcium Salt (1:2)

    15. Doxycycline Chinoin

    16. Doxycycline Hemiethanolate

    17. Doxycycline Hyclate

    18. Doxycycline Monohydrate

    19. Doxycycline Monohydrochloride, 6 Epimer

    20. Doxycycline Monohydrochloride, 6-epimer

    21. Doxycycline Monohydrochloride, Dihydrate

    22. Doxycycline Phosphate (1:1)

    23. Doxycycline-chinoin

    24. Hydramycin

    25. Oracea

    26. Periostat

    27. Vibra Tabs

    28. Vibra-tabs

    29. Vibramycin

    30. Vibramycin Novum

    31. Vibravenos

    2.3.2 Depositor-Supplied Synonyms

    1. 10592-13-9

    2. Doxycycline Hcl

    3. Doxycycline, Hcl

    4. Doxylin

    5. Doxycycline Hyclate

    6. Doxycycline (hydrochloride)

    7. Vibramycin

    8. Nsc-756751

    9. Chebi:652992

    10. 4182z6t2et

    11. 24390-14-5

    12. Doxigalumicina

    13. Vibramycin (tn)

    14. Dsstox_cid_25405

    15. Dsstox_rid_80856

    16. Dsstox_gsid_45405

    17. (4s,4ar,5s,5ar,6r,12ar)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide;hydrochloride

    18. 6-desoxy-5-hydroxytetracycline Hydrochloride

    19. Biocamycin

    20. Idocyklin

    21. Liomycin

    22. Midoxin

    23. Nivocilin

    24. Novadox

    25. Samecin

    26. Tanamicin

    27. Tecacin

    28. Vibradox

    29. Ecodox

    30. Doxy-tablinen

    31. Alpha-6-deoxy-5-hydroxytetracycline Hydrochloride

    32. Vibramycin Hyclate

    33. Doxy-ii

    34. Nsc633557

    35. Vibramycin Hydrochloride

    36. Hyclate

    37. C22h25cln2o8

    38. Unii-4182z6t2et

    39. Sr-01000075844

    40. Doxycycline Hydrochloride [jan]

    41. Deoxyoxytetracycline Hydrochloride

    42. Einecs 234-198-7

    43. Deoxy-5-hydroxytetracycline Hydrochloride

    44. (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)- 3,5,10,12,12a-pentahydroxy- 6-methyl- 1,11-dioxo- 1,4,4a,5,5a,6,11,12a-octahydrotetracene- 2-carboxamide Hydrochloride Hemiethanolate Hemihydrate

    45. (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide Hydrochloride

    46. (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamidehydrochloride

    47. Ncgc00016693-01

    48. Cas-10592-13-9

    49. Schembl40834

    50. Spectrum1500266

    51. Chembl1256723

    52. Dtxsid1045405

    53. Hy-n0565a

    54. Hms1920i20

    55. Pharmakon1600-01500266

    56. Tox21_110566

    57. Tox21_500405

    58. Bdbm50248132

    59. Ccg-38949

    60. Mfcd03427564

    61. Nsc756751

    62. Akos015924649

    63. Tox21_110566_1

    64. Ks-5254

    65. Lp00405

    66. Nsc 756751

    67. Nsc-633557

    68. Ncgc00161602-06

    69. Ncgc00261090-01

    70. 100929-47-3

    71. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochloride, (4s,4ar,5s,5ar,6r,12as)-

    72. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochloride, (4s-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-

    73. Ac-12044

    74. Bd166411

    75. Doxycycline Hydrochloride [who-dd]

    76. Eu-0100405

    77. D 9891

    78. D07877

    79. J-000264

    80. Sr-01000075844-1

    81. Sr-01000075844-8

    82. Q27105187

    83. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4s,4ar,5s,5ar,6r,12as)-, Hydrochloride (1:1)

    84. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4s-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.alpha.,12a.alpha.))- Hydrochloride

    85. 2-naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Hydrochloride

    86. 2-naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochloride,(4s,4ar,5s,5ar,6r,12as)-

    87. 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide Hydrochloride

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 480.9 g/mol
    Molecular Formula C22H25ClN2O8
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass480.1299435 g/mol
    Monoisotopic Mass480.1299435 g/mol
    Topological Polar Surface Area182 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity956
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

    Antimalarials

    Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    Tetracyclines [CS]; Tetracycline-class Drug [EPC]