Analyte Name

Diprenorphine 3-glucuronide-D3

Molecular Formula

C32 D3 H40 N O10

Molecular Weight

604.703

Accurate Mass

604.308

SMILES

[2H]C([2H])([2H])[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc7C[C@H]2N(CC8CC8)CC[C@@]34c57

InChI

InChI=1S/C32H43NO10/c1-29(2,39)18-13-30-8-9-32(18,40-3)28-31(30)10-11-33(14-15-4-5-15)19(30)12-16-6-7-17(24(43-28)20(16)31)41-27-23(36)21(34)22(35)25(42-27)26(37)38/h6-7,15,18-19,21-23,25,27-28,34-36,39H,4-5,8-14H2,1-3H3,(H,37,38)/t18-,19-,21+,22+,23-,25+,27-,28-,30-,31+,32-/m1/s1/i1D3/t18-,19-,21+,22+,23-,25+,27-,28-,29+,30-,31+,32-

IUPAC

(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-15-methoxy-16-[(2R)-1,1,1-trideuterio-2-hydroxypropan-2-yl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat