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    Technical details about DSSTox_CID_29000, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_29000

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    GLOBAL SALES INFORMATION

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 59917-39-4, Vindesine sulfate salt, Fildesin (tn), Vindesinesulfatesalt, Eldesine, Eldisine
    Molecular Formula
    C43H57N5O11S
    Molecular Weight
    852.0  g/mol
    InChI Key
    COFJBSXICYYSKG-FJFFLIEUSA-N
    Vinblastine derivative with antineoplastic activity against CANCER. Major side effects are myelosuppression and neurotoxicity. Vindesine is used extensively in chemotherapy protocols (ANTINEOPLASTIC COMBINED CHEMOTHERAPY PROTOCOLS).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
    2.1.2 InChI
    InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1
    2.1.3 InChI Key
    COFJBSXICYYSKG-FJFFLIEUSA-N
    2.1.4 Canonical SMILES
    CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Compound 112531

    2. Desacetylvinblastine Amide

    3. Eldisine

    4. Enison

    5. Nsc 245467

    6. Nsc-245467

    7. Nsc245467

    8. Sulfate, Vindesine

    9. Vindesin

    10. Vindesine

    2.2.2 Depositor-Supplied Synonyms

    1. 59917-39-4

    2. Vindesine Sulfate Salt

    3. Fildesin (tn)

    4. Vindesinesulfatesalt

    5. Eldesine

    6. Eldisine

    7. Desacetylvinblastine Amide Sulfate

    8. Chebi:32295

    9. Dava

    10. Vindesine (sulfate)

    11. 3-carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine Sulfate (1:1) (salt)

    12. 3-carbamoyl-o(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine Sulfate

    13. Fildesi

    14. Vindesine Sulfate- Bio-x

    15. Desacetyl Vinblastine Amide

    16. Schembl4285

    17. Dsstox_cid_29000

    18. Dsstox_rid_83265

    19. Dsstox_gsid_49074

    20. Vindesine Sulfate(rg)

    21. Mls001424270

    22. Vindesine Sulfate Salt Hydrate

    23. Vdsdesacetyl Vinblastine Amide

    24. Vindesine Sulfate (jan/usan)

    25. Chembl2105882

    26. Dtxsid0049074

    27. C43h57n5o11s

    28. Hms2052b03

    29. N-a-boc-d-2,4-diaminobutyricacid

    30. Tox21_113632

    31. S2440

    32. Akos015895863

    33. Ccg-101151

    34. Nc00401

    35. Ac-24198

    36. Bv164524

    37. Smr000469153

    38. Cas-59917-39-4

    39. Hy-129071

    40. Cs-0103448

    41. D01769

    42. 917v394

    43. Q-100693

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 852.0 g/mol
    Molecular Formula C43H57N5O11S
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count7
    Exact Mass851.37752882 g/mol
    Monoisotopic Mass851.37752882 g/mol
    Topological Polar Surface Area248 Ų
    Heavy Atom Count60
    Formal Charge0
    Complexity1650
    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

    Tubulin Modulators

    Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES. (See all compounds classified as Tubulin Modulators.)

    Antineoplastic Agents, Phytogenic

    Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)

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