Analyte Name

Vinblastine-d3 Sulfate

CAS Number

1246818-72-3

Molecular Formula

C46 D3 H55 N4 O9 . H2 S O4

Molecular Weight

912.071

Accurate Mass

911.407

SMILES

[2H]C([2H])([2H])C(=O)O[C@@H]1[C@]2(CC)C=CCN3CC[C@@]4([C@H]23)[C@@H](N(C)c5cc(OC)c(cc45)[C@@]6(C[C@H]7C[N@](CCc8c6[nH]c9ccccc89)C[C@@](O)(CC)C7)C(=O)OC)[C@@]1(O)C(=O)OC.OS(=O)(=O)O

InChI

InChI=1S/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-;/m0./s1/i3D3;

IUPAC

methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(1S,13R,15R,17R)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-11-(2,2,2-trideuterioacetyl)oxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid

Unlabelled CAS Number

143-67-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat