Analyte Name

Deacetylvinblastine Hydrazide Sulfate-d3

Molecular Formula

C43 D3 H53 N6 O7 . H2 S O4

Molecular Weight

870.038

Accurate Mass

869.407

SMILES

[2H]C([2H])([2H])OC(=O)[C@]1(C[C@H]2C[N@](CCc3c1[nH]c4ccccc34)C[C@@](O)(CC)C2)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)NN.OS(=O)(=O)O

InChI

InChI=1S/C43H56N6O7.H2O4S/c1-6-39(53)21-25-22-42(38(52)56-5,33-27(13-17-48(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)55-4)47(3)35-41(28)15-18-49-16-10-14-40(7-2,34(41)49)36(50)43(35,54)37(51)46-44;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,50,53-54H,6-7,13,15-18,21-24,44H2,1-5H3,(H,46,51);(H2,1,2,3,4)/t25-,34-,35+,36+,39+,40+,41+,42+,43-;/m0./s1/i5D3;

IUPAC

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

Unlabelled CAS Number

64234-47-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat