Analyte Name

Norbuprenorphine-D3

CAS Number

350482-19-8

Molecular Formula

C25 D3 H32 N O4

Molecular Weight

416.568

Accurate Mass

416.275

SMILES

[2H]C([2H])([2H])O[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4)c56

InChI

InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25?/m1/s1/i5D3

IUPAC

(1S,2S,6R,14R,16R)-16-[(1S)-1-hydroxy-1,2,2-trimethyl-propyl]-15-(trideuteriomethoxy)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol

Unlabelled CAS Number

78715-23-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Contaminant

Product Format

Neat