Analyte Name

N-Methylnorbuprenorphine 3-Methyl Ether-d9

Molecular Formula

C27 D9 H30 N O4

Molecular Weight

450.658

Accurate Mass

450.344

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]4Oc5c(OC)ccc6C[C@H]2N(C)CC[C@@]34c56

InChI

InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18-,19-,22-,24+,25-,26+,27-/m1/s1/i1D3,2D3,3D3

IUPAC

(2S)-4,4,4-trideuterio-2-[(1S,2S,6R,14R,15R,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-bis(trideuteriomethyl)butan-2-ol

Unlabelled CAS Number

16196-70-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat