Analyte Name

Tenapanor (Butylene-D8)

Molecular Formula

C50 D8 H58 Cl4 N8 O10 S2

Molecular Weight

1153.098

Accurate Mass

1150.36

SMILES

[2H]C([2H])(NC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NCCOCCOCCNS(=O)(=O)c4cccc(c4)[C@@H]5CN(C)Cc6c(Cl)cc(Cl)cc56

InChI

InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1/i3D2,4D2,11D2,12D2

IUPAC

1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[1,1,2,2,3,3,4,4-octadeuterio-4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea

Unlabelled CAS Number

1234423-95-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat