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    Quatrimycin Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Epitetracycline hydrochloride, 23313-80-6, 4-epi-tetracycline hydrochloride, Quatrimycin hydrochloride, Quatrimycin hcl, I7c3edl2yg
    Molecular Formula
    C22H25ClN2O8
    Molecular Weight
    480.9  g/mol
    InChI Key
    YCIHPQHVWDULOY-DXDJYCPMSA-N
    FDA UNII
    I7C3EDL2YG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15+,21+,22-;/m0./s1
    2.1.3 InChI Key
    YCIHPQHVWDULOY-DXDJYCPMSA-N
    2.1.4 Canonical SMILES
    CC1(C2CC3C(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@@]1([C@H]2C[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
    I7C3EDL2YG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Epitetracycline Hydrochloride

    2. 23313-80-6

    3. 4-epi-tetracycline Hydrochloride

    4. Quatrimycin Hydrochloride

    5. Quatrimycin Hcl

    6. I7c3edl2yg

    7. 4-epitetracycline (hydrochloride)

    8. Epitetracycline Hydrochloride [usp]

    9. (4r,4as,5as,6s,12ar)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride

    10. Epitetracycline Hydrochloride (usp)

    11. Epitetracycline Hcl

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

    13. Unii-i7c3edl2yg

    14. (4r,4as,5as,6s,12as)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride

    15. (4r,4as,5as,6s,12as)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide Monohydrochloride

    16. Chembl1950577

    17. Dtxsid80873794

    18. 2-naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11-dioxo-6-methyl-3,6,10,12,12a-pentahydroxy-, 4-epimer, Hydrochloride

    19. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochloride, (4r-(4alpha,4abeta,5abeta,6alpha,12abeta))-

    20. Epitetracycline Hydrochloride [ii]

    21. Hy-136443

    22. Cs-0129421

    23. Epitetracycline Hydrochloride [usp-rs]

    24. D04030

    25. Epitetracycline Hydrochloride [usp Monograph]

    26. J-015075

    27. Q27280543

    28. 4-epitetracycline Hydrochloride, Vetranal(tm), Analytical Standard

    29. 4-epitetracycline Hydrochloride, European Pharmacopoeia (ep) Reference Standard

    30. Epitetracycline Hydrochloride, United States Pharmacopeia (usp) Reference Standard

    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
    Complexity971
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2