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    Sancycline

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 20,194Xls

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    2D Structure
    Also known as: 808-26-4, Bonomycin, Norcycline, 6-demethyl-6-deoxytetracycline, Sancyclinum, Sancycline free base
    Molecular Formula
    C21H22N2O7
    Molecular Weight
    414.4  g/mol
    InChI Key
    MTCQOMXDZUULRV-ADOAZJKMSA-N
    FDA UNII
    ODN00F2SJG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
    2.1.2 InChI
    InChI=1S/C21H22N2O7/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29)/t9-,10-,15-,21-/m0/s1
    2.1.3 InChI Key
    MTCQOMXDZUULRV-ADOAZJKMSA-N
    2.1.4 Canonical SMILES
    CN(C)C1C2CC3CC4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O
    2.1.5 Isomeric SMILES
    CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    ODN00F2SJG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-demethyl-6-desoxytetracycline

    2. 6-deoxy-6-demethyltetracycline

    3. 6-desoxy-6-demethyltetracyclin

    4. 6-dodmtc

    5. Bonomycin

    6. Sancycline Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 808-26-4

    2. Bonomycin

    3. Norcycline

    4. 6-demethyl-6-deoxytetracycline

    5. Sancyclinum

    6. Sancycline Free Base

    7. Gs 2147

    8. Odn00f2sjg

    9. Gs-2147

    10. 808-26-4 (free Base)

    11. 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

    12. Sanciclina

    13. (4s,4as,5ar,12ar)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide

    14. (4s,4as,5ar,12as)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

    15. (4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

    16. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4s,4as,5ar,12as)-

    17. Nsc51812

    18. Sancycline [usan:inn]

    19. Sancyclinum [inn-latin]

    20. Unii-odn00f2sjg

    21. Sanciclina [inn-spanish]

    22. Nsc 51812 (as Hydrochloride)

    23. Bonomycin (tn)

    24. Sancycline [mi]

    25. Sancycline [inn]

    26. Sancycline (usan/inn)

    27. Sancycline [usan]

    28. Dsstox_cid_31625

    29. Dsstox_rid_97509

    30. Dsstox_gsid_57836

    31. Schembl112644

    32. Schembl1649653

    33. Chembl2009312

    34. Dtxsid5057836

    35. Schembl23271182

    36. Ex-a210

    37. Chebi:135671

    38. Tox21_113907

    39. S5859

    40. Zinc22066481

    41. Akos022186417

    42. Akos037517260

    43. Zinc103941901

    44. Cs-5602

    45. Bonomycin;6-demethyl-6-deoxytetracycline

    46. Ncgc00262909-01

    47. 4beta-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12abeta-tetrahydroxy-1,11-dioxo-2-naphthacencarboxamid

    48. Bs-22405

    49. Cas-808-26-4

    50. Hy-17466

    51. Nci60_004256

    52. D05796

    53. 808s264

    54. A864642

    55. Q27285586

    56. (4s,4as,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

    57. (4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide

    58. (4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide

    59. 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4s-(4alpha,4aalpha,5aalpha,12aalpha))-

    60. 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-napththacenecarboxamide, Hydrochloride

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 414.4 g/mol
    Molecular Formula C21H22N2O7
    XLogP31.2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count2
    Exact Mass414.14270105 g/mol
    Monoisotopic Mass414.14270105 g/mol
    Topological Polar Surface Area161 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity892
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1