Buprenorphine beta-D-Glucuronide (100ug/ml in Methanol)

Analyte Name

Buprenorphine-3beta-D-glucuronide

CAS Number

101224-22-0

Molecular Formula

C35 H49 N O10

Molecular Weight

643.76

Measured Value

100 μg/mL

Accurate Mass

643.3356

SMILES

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)c7O[C@@H]2[C@]3(CCN4CC8CC8)c57

InChI

InChI=1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32+,33-,34+,35?/m1/s1

IUPAC

(5a,7a)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-3-yl ß-D-glucopyranosiduronic acid

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol