(4S,4aS,4a1R,5aS,8aR,8a1S,15aS)-2,3,4,4a,4a1,5,5a,7,8,8a1,15,15a-Dodecahydro-14H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one-3,4-d2

Analyte Name

(4S,4aS,4a1R,5aS,8aR,8a1S,15aS)-2,3,4,4a,4a1,5,5a,7,8,8a1,15,15a-Dodecahydro-14H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one-3,4-d2

Molecular Formula

C21 D2 H22 N2 O2

Molecular Weight

338.44

Accurate Mass

338.196

SMILES

[2H]C1CO[C@H]2CC(=O)N3[C@H]4[C@H]2[C@H]5C[C@@H]6N(CC[C@]46c7ccccc37)C[C@@]15[2H]

InChI

InChI=1S/C21H24N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-4,12-13,16-17,19-20H,5-11H2/t12-,13+,16+,17+,19+,20+,21-/m1/s1/i5D,12D/t5?,12-,13+,16+,17+,19+,20+,21-

IUPAC

(4S,4aS,5aS,8aR,13aS,15aS,15bR)-3,4-dideuterio-2,3,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)