Analyte Name

Vinblastine-d3 Methiodide

Molecular Formula

C47H58D3N4O9 • I

Molecular Weight

955.95

Accurate Mass

955.37

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@+](C([2H])([2H])[2H])(C9)C[C@@](CC)(O)C[C@@H]9C6)C)O)OC(C)=O)CC.[I-]

InChI

InChI=1S/C47H61N4O9.HI/c1-9-43(55)24-29-25-46(41(53)58-7,37-31(16-21-51(5,26-29)27-43)30-14-11-12-15-34(30)48-37)33-22-32-35(23-36(33)57-6)49(4)39-45(32)18-20-50-19-13-17-44(10-2,38(45)50)40(60-28(3)52)47(39,56)42(54)59-8;/h11-15,17,22-23,29,38-40,48,55-56H,9-10,16,18-21,24-27H2,1-8H3;1H/q+1;/p-1/t29-,38+,39-,40-,43+,44-,45-,46+,47+,51-;/m1./s1/i5D3;

IUPAC

(3R,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)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-3-(methyl-d3)-1,2,3,4,5,6,7,8,9,10-decahydro-3,7-methano[1]azacycloundecino[5,4-b]indol-3-ium iodide

Unlabelled CAS Number

61988-79-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat