VLB monosulfate

Vinblastine Antitumor alkaloid isolated from Vinca rosea. (Merck, 11th ed.)

Molecular Formula: C₄₆H₆₀N₄O₁₃S

InChI: InChI=1/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1/f/h;1-2H

InChIKey: InChIKey=KDQAABAKXDWYSZ-FBNHMSGIDN
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)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

Names:
    Belvan, VLB
    EXAL
    Velban
    Velbe
    Vinblastine Sulfate Hydrate
    Vinblastine sulfate
    Vincaleucoblastine sulfate
    Vincaleukoblastine sulfate
    Vincaleukoblastine
    VLB monosulfate

Registries:
    PubChem CID 241902
    PubChem ID 101900