Analyte Name

(S)-9-Hydroxy Risperidone-(O-chroman-2-carboxylate)-d4

Molecular Formula

C33H31D4FN4O5

Molecular Weight

590.68

Accurate Mass

590.28

SMILES

[2H]C(C([2H])([2H])C1=C(C)N=C([C@@H](OC([C@H]2OC(C=CC=C3)=C3CC2)=O)CCC4)N4C1=O)([2H])N(CC5)CCC5C6=NOC7=C6C=CC(F)=C7

InChI

InChI=1S/C33H35FN4O5/c1-20-24(14-18-37-16-12-22(13-17-37)30-25-10-9-23(34)19-29(25)43-36-30)32(39)38-15-4-7-27(31(38)35-20)42-33(40)28-11-8-21-5-2-3-6-26(21)41-28/h2-3,5-6,9-10,19,22,27-28H,4,7-8,11-18H2,1H3/t27-,28-/m0/s1/i14D2,18D2

IUPAC

(S)-3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl-1,1,2,2-d4)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl (S)-chromane-2-carboxylate

Alternate CAS Number

S isomer: 2983160-82-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat