Analyte Name

Bepafant-d8

Molecular Formula

C23 D8 H14 Cl N5 O2 S

Molecular Weight

476.02

Accurate Mass

475.168

SMILES

[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)C2Cc3sc4c(C(=NCc5nnc(C)n45)c6ccccc6Cl)c3C2)C1([2H])[2H]

InChI

InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3/i6D2,7D2,8D2,9D2

IUPAC

[9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone

Unlabelled CAS Number

114776-28-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Bioactive Small Molecule

Product Format

Neat