Analyte Name

R-59-022-d5 (Mono-defluoro Ritanserin-d5)

Molecular Formula

C27 D5 H21 F N3 O S

Molecular Weight

464.609

Accurate Mass

464.209

SMILES

[2H]c1c([2H])c([2H])c(C(=C2CCN(CCC3=C(C)N=C4SC=CN4C3=O)CC2)c5ccc(F)cc5)c([2H])c1[2H]

InChI

InChI=1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3/i2D,3D,4D,5D,6D

IUPAC

6-[2-[4-[(4-fluorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Unlabelled CAS Number

93076-89-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat