Analyte Name

(5,5'-Bis(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6,6'-dichloro-3-hydroxy-3,3'-biindoline-2,2'-dione)-d8

Molecular Formula

C42 D8 H32 Cl2 N8 O3 S2

Molecular Weight

847.904

Accurate Mass

846.254

SMILES

[2H]C1([2H])N(CCc2cc3C(C(=O)Nc3cc2Cl)C4(O)C(=O)Nc5cc(Cl)c(CCN6CCN(CC6)c7nsc8ccccc78)cc45)C([2H])([2H])C([2H])([2H])N(c9nsc%10ccccc9%10)C1([2H])[2H]

InChI

InChI=1S/C42H40Cl2N8O3S2/c43-31-23-33-29(21-25(31)9-11-49-13-17-51(18-14-49)38-27-5-1-3-7-35(27)56-47-38)37(40(53)45-33)42(55)30-22-26(32(44)24-34(30)46-41(42)54)10-12-50-15-19-52(20-16-50)39-28-6-2-4-8-36(28)57-48-39/h1-8,21-24,37,55H,9-20H2,(H,45,53)(H,46,54)/i13D2,14D2,17D2,18D2

IUPAC

3-[5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindol-3-yl]-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-3-hydroxy-1H-indol-2-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat