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    Carubicin

    PharmaCompass
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    2D Structure
    Also known as: Carubicin, 39472-31-6, Carminomycin i, Karminomycin, 50935-04-1, Carubicin [inn]
    Molecular Formula
    C26H27NO10
    Molecular Weight
    513.5  g/mol
    InChI Key
    XREUEWVEMYWFFA-CSKJXFQVSA-N
    FDA UNII
    E7437K3983
    A very toxic anthracycline-type antineoplastic related to DAUNORUBICIN, obtained from Actinomadura carminata.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
    2.1.2 InChI
    InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1
    2.1.3 InChI Key
    XREUEWVEMYWFFA-CSKJXFQVSA-N
    2.1.4 Canonical SMILES
    CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    E7437K3983
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Carminomicin

    2. Carminomycin I

    3. Carminomycin Ii

    4. Carminomycin Iii

    5. Carubicin

    6. Carubicin Hydrochloride

    7. Demethyldaunomycin

    8. Demethyldaunorubicin

    9. Hydrochloride, Carubicin

    10. Karminomicin

    11. Karminomycin

    12. Nsc 180,024

    13. Nsc 180024

    14. Nsc-180,024

    15. Nsc-180024

    16. Nsc180,024

    17. Nsc180024

    18. Rubeomycin A

    19. Rubeomycin A1

    2.3.2 Depositor-Supplied Synonyms

    1. Carubicin

    2. 39472-31-6

    3. Carminomycin I

    4. Karminomycin

    5. 50935-04-1

    6. Carubicin [inn]

    7. O-demethyldaunomycin

    8. Carminomicin I

    9. Nsc-180024

    10. Ccris 961

    11. Chebi:31359

    12. Dsstox_cid_2742

    13. Dsstox_rid_76711

    14. Dsstox_gsid_22742

    15. Karminomitsin

    16. Ncgc00159344-02

    17. 50935-04-1 (free Base)

    18. (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione

    19. E7437k3983

    20. (8s,10s)-8-acetyl-10-(((2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-1,6,8,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

    21. Carubicina

    22. Carubicine

    23. Carubicinum

    24. (1s,3s)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside

    25. (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione

    26. 5,12-naphthacenedione,8-acetyl-10-[(3-amino-2,3,6-trideoxy-a-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8s,10s)-

    27. Cas-50935-04-1

    28. Carubicine [inn-french]

    29. Carubicinum [inn-latin]

    30. Carubicina [inn-spanish]

    31. Ccris 6185

    32. Unii-e7437k3983

    33. Ncgc00160675-01

    34. Carminomycin; Carubicin

    35. Carubicin [mi]

    36. Schembl9552

    37. Chembl474260

    38. Dtxsid3022742

    39. Ex-a2244

    40. Hy-b2171

    41. Zinc4654755

    42. Tox21_111589

    43. Tox21_111978

    44. Bdbm50103635

    45. (1s,3s)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-tridesoxy-alpha-l-lyxo-hexopyranosid

    46. Cs-0021097

    47. Carminomycin, O-demethyldaunomycin, Ccris 961

    48. 935c041

    49. A857268

    50. Q5047474

    51. (1s,3s)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranoside

    52. 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8s-cis)-

    53. 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8s-cis)-

    54. 5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8s,10s)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 513.5 g/mol
    Molecular Formula C26H27NO10
    XLogP31.5
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count3
    Exact Mass513.16349606 g/mol
    Monoisotopic Mass513.16349606 g/mol
    Topological Polar Surface Area197 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity944
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Topoisomerase II Inhibitors

    Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)

    Antibiotics, Antineoplastic

    Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)