Cyclobenzaprine 2,3,4-Tri-O-acetyl-N-beta-D-glucuronide Methyl Ester

Analyte Name

Cyclobenzaprine 2,3,4-Tri-O-acetyl-N-beta-D-glucuronide Methyl Ester

Molecular Formula

C33 H38 N O9 . Br

Molecular Weight

672.56

Accurate Mass

671.173

SMILES

[Br-].COC(=O)[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)[N+](C)(C)CCC=C2c3ccccc3C=Cc4ccccc24

InChI

InChI=1S/C33H38NO9.BrH/c1-20(35)40-28-29(41-21(2)36)31(33(38)39-6)43-32(30(28)42-22(3)37)34(4,5)19-11-16-27-25-14-9-7-12-23(25)17-18-24-13-8-10-15-26(24)27;/h7-10,12-18,28-32H,11,19H2,1-6H3;1H/q+1;/p-1/t28-,29-,30+,31-,32+;/m0./s1

IUPAC

dimethyl-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl]-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)propyl]azanium;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat