Analyte Name

Buprenorphine-d9

CAS Number

1134630-65-1

Molecular Formula

C29 H32 D9 N O4

Molecular Weight

476.70

Accurate Mass

476.36

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)C4Oc5c(O)ccc6C[C@H]2N(CC7CC7)CC[C@@]34c56

InChI

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24?,26-,27-,28+,29-/m1/s1/i1D3,2D3,3D3

IUPAC

(1S,2S,6R,15R,16R)-5-(cyclopropylmethyl)-15-methoxy-16-[(1R)-3,3,3-trideuterio-1-hydroxy-1-methyl-2,2-bis(trideuteriomethyl)propyl]-13-oxa-5-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{2,14}.0^{12,20}]icosa-8(20),9,11-trien-11-ol

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat