Vinyglycinate sulfate

Molecular Formula: C48H65N5O13S


InChI: InChI=1/C48H63N5O9.H2O4S/c1-9-44(57)24-29-25-47(42(55)60-7,38-31(16-20-52(26-29)28-44)30-14-11-12-15-34(30)49-38)33-22-32-35(23-36(33)59-6)51(5)40-46(32)18-21-53-19-13-17-45(10-2,39(46)53)41(48(40,58)43(56)61-8)62-37(54)27-50(3)4;1-5(2,3)4/h11-15,17,22-23,29,39-41,49,57-58H,9-10,16,18-21,24-28H2,1-8H3;(H2,1,2,3,4)/t29?,39-,40+,41+,44-,45+,46+,47-,48-;/m0./s1/f/h;1-2H

InChIKey: InChIKey=UNMODLJJNIJIBD-UXGXIWOYDT
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)CN(C)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

Names:
    Lilly 49040
    Vincaleukoblastine, 26-(dimethylamino)-, sulfate (2:3) (salt)
    VINGLYCINATE SULFATE (2:3)
    Vinglycinate sulfate [USAN]
    Vinyglycinate sulfate
    4-Deacetylvincaleukoblastine 4-(N,N-dimethylglycinate) (ester) sulfate (2:3) (salt)
    7281-31-4

Registries:
    PubChem CID 23707
    PubChem ID 166269