Analyte Name

Vinamidine-d3-hydroxide Sulfate

Molecular Formula

C46H53D3N4O11 . x(H2O4S)

Molecular Weight

942.1

SMILES

OS(O)(=O)=O.O=C([C@@]1(C2N(C3=CC(OC)=C([C@@]4(C(OC([2H])([2H])[2H])=O)C[C@@H](CN(CCC5=C4NC6=C5C=CC=C6)C=O)[C@H](C(CC)=O)O)C=C3[C@]27[C@@H]8[C@](CC)([C@H]1OC(C)=O)C=CCN8CC7)C)O)OC

InChI

InChI=1S/C46H56N4O11.H2O4S/c1-8-34(53)36(54)27-23-45(41(55)59-6,37-29(15-19-49(24-27)25-51)28-13-10-11-14-32(28)47-37)31-21-30-33(22-35(31)58-5)48(4)39-44(30)17-20-50-18-12-16-43(9-2,38(44)50)40(61-26(3)52)46(39,57)42(56)60-7;1-5(2,3)4/h10-14,16,21-22,25,27,36,38-40,47,54,57H,8-9,15,17-20,23-24H2,1-7H3;(H2,1,2,3,4)/t27-,36+,38-,39?,40+,43+,44+,45-,46-;/m0./s1/i6D3;

IUPAC

methyl (3aR,3a1R,4R,5S,10bR)-4-acetoxy-3a-ethyl-9-((5S,7S)-3-formyl-5-((R)-1-hydroxy-2-oxobutyl)-7-((methoxy-d3)carbonyl)-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indol-7-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate sulfate

Unlabelled CAS Number

free base: 70560-45-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat