Analyte Name

6-Carboxy Tariquidar MTSEA Amide-d4

Molecular Formula

C42H41D4N5O9S2

Molecular Weight

831.99

Accurate Mass

831.29

SMILES

O=C(C1=C(NC(C2=CN=C(C=CC(C(NC([2H])([2H])C([2H])([2H])SS(=O)(C)=O)=O)=C3)C3=C2)=O)C=C(OC)C(OC)=C1)NC(C=C4)=CC=C4CCN5CC6=CC(OC)=C(OC)C=C6CC5

InChI

InChI=1S/C42H45N5O9S2/c1-53-36-20-27-13-16-47(25-31(27)21-37(36)54-2)15-12-26-6-9-32(10-7-26)45-42(50)33-22-38(55-3)39(56-4)23-35(33)46-41(49)30-19-29-18-28(8-11-34(29)44-24-30)40(48)43-14-17-57-58(5,51)52/h6-11,18-24H,12-17,25H2,1-5H3,(H,43,48)(H,45,50)(H,46,49)/i14D2,17D2

IUPAC

S-(2-(3-((2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)carbamoyl)quinoline-6-carboxamido)ethyl-1,1,2,2-d4) methanesulfonothioate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat