Vincristine Chloromethiodide-d5

Analyte Name

Vincristine Chloromethiodide-d5

Molecular Formula

C47H53D5ClN4O10 • I

Molecular Weight

1006.39

Accurate Mass

1005.32

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

InChI

InChI=1S/C47H58ClN4O10.HI/c1-7-43(57)22-29-23-46(41(55)60-5,37-31(14-19-52(24-29,25-43)26-48)30-12-9-10-13-34(30)49-37)33-20-32-35(21-36(33)59-4)51(27-53)39-45(32)16-18-50-17-11-15-44(8-2,38(45)50)40(62-28(3)54)47(39,58)42(56)61-6;/h9-13,15,20-21,27,29,38-40,49,57-58H,7-8,14,16-19,22-26H2,1-6H3;1H/q+1;/p-1/t29-,38+,39-,40-,43+,44-,45-,46+,47+,52+;/m1./s1/i3D3,26D2;

IUPAC

(3S,5S,7S,9S)-9-((3aR,3a1R,4R,5S,5aR,10bR)-4-(acetoxy-d3)-3a-ethyl-6-formyl-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl)-3-(chloromethyl-d2)-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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat