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    Spectinomycin HCl

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    Spectinomycin HCl
    Also known as: Spectinomycin hcl, 22193-75-5, Spectinomycin monohydrochloride, 22189-32-8, Hl7kc2yv22, Spectinomycin dihydrochloride
    Molecular Formula
    C14H25ClN2O7
    Molecular Weight
    368.81  g/mol
    InChI Key
    BIPVCOUVVAMJMZ-MTTMTQIXSA-N
    FDA UNII
    HL7KC2YV22
    An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.
    1 2D Structure

    Spectinomycin HCl

    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;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H24N2O7.ClH/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;1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1
    2.1.3 InChI Key
    BIPVCOUVVAMJMZ-MTTMTQIXSA-N
    2.1.4 Canonical SMILES
    CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.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.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    HL7KC2YV22
    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. Stanilo

    14. Trobicin

    2.3.2 Depositor-Supplied Synonyms

    1. Spectinomycin Hcl

    2. 22193-75-5

    3. Spectinomycin Monohydrochloride

    4. 22189-32-8

    5. Hl7kc2yv22

    6. Spectinomycin Dihydrochloride

    7. Actinospectacin

    8. (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;hydrochloride

    9. 21736-83-4

    10. Spectinomycindihydrochloride

    11. M-141

    12. Nsc-132679

    13. Nsc 132679

    14. 4h-pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-

    15. Unii-hl7kc2yv22

    16. Schembl41043

    17. Chembl1200407

    18. Pharmakon1600-01500538

    19. Nsc757319

    20. Akos016339658

    21. Ks-1390

    22. Ncgc00180937-01

    23. (2r-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4h-pyrano(2,3-b)(1,4)benzodioxin-4-one Monohydrochloride

    24. (8s,11s,13s,14s,1r,3r,6r,10r,12r)-12,14-bis(methylamino)-3,11,13-trihydroxy-6- Methyl-2,7,9-trioxatricyclo[8.4.0.0<3,8>]tetradecan-4-one, Chloride

    25. 695s778

    26. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Monohydrochloride, (2r-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.))-

    27. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Monohydrochloride, (2r-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 368.81 g/mol
    Molecular Formula C14H25ClN2O7
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass368.1350288 g/mol
    Monoisotopic Mass368.1350288 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count24
    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 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.)

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