Analyte Name

Vincristine-d9 Sulfate

Molecular Formula

C46 D9 H47 N4 O10 . H2 S O4

Molecular Weight

932.092

Accurate Mass

931.424

SMILES

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

InChI

InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1/i3D3,5D3,6D3;

IUPAC

sulfuric acid;trideuteriomethyl (1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(trideuteriomethoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-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

Unlabelled CAS Number

2068-78-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat