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    Chemistry

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    Also known as: 22189-32-8, Trobicin, Spectinomycin hydrochloride, Spectogard, Spectinomycin hcl, Spectam
    Molecular Formula
    C14H36Cl2N2O12
    Molecular Weight
    495.3  g/mol
    InChI Key
    DCHJOVNPPSBWHK-UXXUFHFZSA-N
    FDA UNII
    HWT06H303Z
    Spectinomycin Dihydrochloride Pentahydrate
    An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.
    1 2D Structure

    Spectinomycin Dihydrochloride Pentahydrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride
    2.1.2 InChI
    InChI=1S/C14H24N2O7.2ClH.5H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;;;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H;5*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;;;/m1......./s1
    2.1.3 InChI Key
    DCHJOVNPPSBWHK-UXXUFHFZSA-N
    2.1.4 Canonical SMILES
    CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
    2.1.5 Isomeric SMILES
    C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    HWT06H303Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Actinospectacin

    2. Adspec

    3. Ferkel Spectam

    4. Kempi

    5. Prospec

    6. Salmosan T

    7. Salmosan-t

    8. Spectam

    9. Spectam, Ferkel

    10. Spectinomycin

    11. Spectinomycin Dihydrochloride, Anhydrous

    12. Spectinomycin Dihydrochloride, Pentahydrate

    13. Spectinomycin Hydrochloride

    14. Stanilo

    15. Trobicin

    2.3.2 Depositor-Supplied Synonyms

    1. 22189-32-8

    2. Trobicin

    3. Spectinomycin Hydrochloride

    4. Spectogard

    5. Spectinomycin Hcl

    6. Spectam

    7. Spectinomycin Hydrochloride Hydrate

    8. Espectinomicina Dihydrochloride Pentahydrate

    9. Togamycin Dihydrochloride Pentahydrate

    10. Unii-hwt06h303z

    11. Mfcd00150886

    12. Trobicin (tn)

    13. U 18,400ae

    14. U-18,409ae

    15. Actinospectacin Dihydrochloride Pentahydrate

    16. Spectinomycin Hcl Hydrate

    17. Spectinomycin Hcl Pentahydrate

    18. Spectinomycin, Dihydrochloride, Pentahydrate

    19. Hwt06h303z

    20. Spectinomycin Dihydrochloride

    21. 22189-32-8 (hcl Hydrate)

    22. Togamycin

    23. U-18409ae

    24. Nsc-757319

    25. Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4h-pyrano(2,3-b)(1,4)benzodioxin-4-one Dihydrochloride Pentahydrate

    26. M 141

    27. M-141

    28. (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4h-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one Dihydrochloride Pentahydrate

    29. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Dihydrochloride, Pentahydrate

    30. Nsc-248616

    31. Spectinomycin Hydrochloride [usan:usp:jan]

    32. Spectinomycin Hydrochloride Pentahydrate

    33. Spectinomycini Hydrochloridum

    34. Chebi:9217

    35. C14h36cl2n2o12

    36. Chembl3989571

    37. Dtxsid90944843

    38. Spectinomycin Hydrochloride (usp)

    39. Spectinomycin For System Suitability

    40. S5417

    41. Akos008145409

    42. Ds-7849

    43. Nsc 757319

    44. Ak154005

    45. Spectinomycin Hydrochloride [usan]

    46. Spectinomycin Hydrochloride [vandf]

    47. Spectinomycin Hydrochloride [usp-rs]

    48. Spectinomycin Hydrochloride Hydrate (jp17)

    49. Trobicin;spectinomycin Hydrochloride Hydrate

    50. D00869

    51. Spectinomycin Hydrochloride [orange Book]

    52. Spectinomycin Hydrochloride Hydrate [jan]

    53. Spectinomycin Hydrochloride [usp Impurity]

    54. Spectinomycin Hydrochloride [usp Monograph]

    55. J-014576

    56. Spectinomycini Hydrochloridum [who-ip Latin]

    57. Q27108318

    58. Spectinomycin Dihydrochloride Pentahydrate [mi]

    59. Spectinomycin Hydrochloride Pentahydrate [who-dd]

    60. Spectinomycin Dihydrochloride Pentahydrate, >=98.0% (at)

    61. Spectinomycin Hydrochloride Pentahydrate [green Book]

    62. Spectinomycin Dihydrochloride Pentahydrate [ep Impurity]

    63. Spectinomycin Dihydrochloride Pentahydrate [ep Monograph]

    64. Spectinomycin Dihydrochloride Pentahydrate [green Book]

    65. Spectinomycin Dihydrochloride Pentahydrate, Cell Culture Grade

    66. Spectinomycin Dihydrochloride Pentahydrate 100 Microg/ml In Methanol

    67. Spectinomycin Dihydrochloride Pentahydrate, Powder, Gamma-irradiated

    68. Spectinomycin Dihydrochloride Pentahydrate, Potency: >=603 Mug Per Mg

    69. Spectinomycin Dihydrochloride Pentahydrate, Powder, Bioreagent, Suitable For Cell Culture

    70. Spectinomycin Dihydrochloride Pentahydrate, Vetranal(tm), Analytical Standard

    71. Spectinomycin Hydrochloride, United States Pharmacopeia (usp) Reference Standard

    72. (1r,3s,5r,8r,10r,11s,12s,13r,14s)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride

    73. (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4h-benzo[b]pyrano[2,3-e][1,4]dioxin-4-onedihydrochloridepentahydrate

    74. (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4h-pyrano[2,3-b][1,4]benzodioxin-4-one Dihydrochloride Pentahydrate

    75. (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4h-pyrano[2,3-b][1,4]benzodioxin-4-one Dihydrochloride--water (1/5)

    76. (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-n,n',2-trimethyl-4-oxodecahydro-2h-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium Dichloride--water (1/5)

    77. (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4h-pyrano[2,3-b][1,4]benzodioxin-4-one Dihydrochloride Pentahydrate

    78. (2r-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.))-decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4h-pyrano(2,3-b)(1,4)benzodioxin-4-one Dihydrochloride Pentahydrate

    79. 4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4h-pyrano[2,3-b][1,4]benzodioxin-4-one--hydrogen Chloride--water (1/2/5)

    80. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Hydrochloride, Hydrate (1:2:5), (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-

    81. Spectinomycin Dihydrochloride Pentahydrate, Biotechnology Performance Certified, Cell Culture Tested

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 495.3 g/mol
    Molecular Formula C14H36Cl2N2O12
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count2
    Exact Mass494.1645300 g/mol
    Monoisotopic Mass494.1645300 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity478
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count8
    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.)

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