Analyte Name

Vinblastine-methylchloride Iodide

Molecular Formula

C47H60ClN4O9 • I

Molecular Weight

987.38

Accurate Mass

986.31

SMILES

[H][C@]12[C@@]3([C@H]([C@](C(OC)=O)([C@]4([H])N(C5=CC(OC)=C(C=C5[C@@]41CCN2CC=C3)[C@]6(C(OC)=O)C7=C(C8=C(N7)C=CC=C8)CC[N@+](CCl)(C9)C[C@@](CC)(O)C[C@@H]9C6)C)O)OC(C)=O)CC.[I-]

InChI

InChI=1S/C47H60ClN4O9.HI/c1-8-43(56)23-29-24-46(41(54)59-6,37-31(15-20-52(25-29,26-43)27-48)30-13-10-11-14-34(30)49-37)33-21-32-35(22-36(33)58-5)50(4)39-45(32)17-19-51-18-12-16-44(9-2,38(45)51)40(61-28(3)53)47(39,57)42(55)60-7;/h10-14,16,21-22,29,38-40,49,56-57H,8-9,15,17-20,23-27H2,1-7H3;1H/q+1;/p-1/t29-,38+,39-,40-,43+,44-,45-,46+,47+,52+;/m1./s1

IUPAC

(3S,5S,7S,9S)-9-((3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl)-3-(chloromethyl)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,7-methano[1]azacycloundecino[5,4-b]indol-3-ium iodide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat