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    Rubidazone Monohydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Rubidazone, Rubidazone monohydrochloride, Rp 22,050 hydrochloride, Nsc-164011, N-[(e)-1-[(2s,4s)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1h-tetracen-2-yl]ethylideneamino]benzamide;hydrochloride, Nsc164011
    Molecular Formula
    C34H36ClN3O10
    Molecular Weight
    682.1  g/mol
    InChI Key
    NKFHKYQGZDAKMX-CBGHEUOKSA-N
    Zorubicin Hydrochloride is a benzoyl-hydrazone derivative of the anthracycline antineoplastic antibiotic daunorubicin. Zorubicin intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair and RNA and protein synthesis. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(E)-1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C34H35N3O10.ClH/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41;/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43);1H/b36-16+;/t15?,20?,22-,23?,28?,34-;/m0./s1
    2.1.3 InChI Key
    NKFHKYQGZDAKMX-CBGHEUOKSA-N
    2.1.4 Canonical SMILES
    CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N)O.Cl
    2.1.5 Isomeric SMILES
    CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC=CC=C6)/C)O)N)O.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Daunomycin Benzoylhydrazone

    2. Rp 22050

    3. Rubidazone

    4. Zorubicin

    5. Zorubicin Hydrochloride, (l-xylo)-(2s-cis)-isomer

    6. Zorubicin, (l-arabino)-(2s-cis)-isomer

    7. Zorubicine

    2.2.2 Depositor-Supplied Synonyms

    1. Rubidazone

    2. Rubidazone Monohydrochloride

    3. Rp 22,050 Hydrochloride

    4. Nsc-164011

    5. N-[(e)-1-[(2s,4s)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1h-tetracen-2-yl]ethylideneamino]benzamide;hydrochloride

    6. Nsc164011

    7. 36508-71-1

    8. Rubidaz

    9. Zorubicinhydrochlorid

    10. Daunorubicin, Monohydrochloride

    11. Chembl1975668

    12. Rp 22050

    13. Benzoic Acid Hydrazide, Monohydrochlorideone

    14. 22050 R.p.

    15. Benzoic Acid [1-[4-[(3-amino-2,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, (2s-cis)-, Monohydrochloride

    16. Benzoic Acid,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, Monohydrochloride, (2s-cis)-

    2.3 Create Date
    2006-10-24
    3 Chemical and Physical Properties
    Molecular Weight 682.1 g/mol
    Molecular Formula C34H36ClN3O10
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count6
    Exact Mass681.2089220 g/mol
    Monoisotopic Mass681.2089220 g/mol
    Topological Polar Surface Area210 Ų
    Heavy Atom Count48
    Formal Charge0
    Complexity1230
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antibiotics, Antineoplastic

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