Analyte Name

(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-methoxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide-d2, 15N

Molecular Formula

C22 D2 H18 F3 15N N2 O5

Molecular Weight

466.412

Accurate Mass

466.145

SMILES

[2H]C([2H])([15NH]C(=O)C1=CN2C[C@H]3O[C@@H]4CC[C@@H](C4)N3C(=O)C2=C(OC)C1=O)c5c(F)cc(F)cc5F

InChI

InChI=1S/C22H20F3N3O5/c1-32-20-18-22(31)28-11-2-3-12(6-11)33-17(28)9-27(18)8-14(19(20)29)21(30)26-7-13-15(24)4-10(23)5-16(13)25/h4-5,8,11-12,17H,2-3,6-7,9H2,1H3,(H,26,30)/t11-,12+,17+/m0/s1/i7D2,26+1

IUPAC

(1S,11R,13R)-N-[dideuterio-(2,4,6-trifluorophenyl)methyl]-5-methoxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-(15N)carboxamide

Unlabelled CAS Number

1616340-94-3

SIL Type

Deuterium, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat