Trandolapril Acyl-beta-D-glucuronide, 85%

Analyte Name

Trandolapril Acyl-beta-D-glucuronide

CAS Number

1260617-50-2

Molecular Formula

C30 H42 N2 O11

Molecular Weight

606.661

Accurate Mass

606.279

SMILES

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O[C@@H]4OC([C@@H](O)C(O)C4O)C(=O)O

InChI

InChI=1S/C30H42N2O11/c1-3-41-28(39)19(14-13-17-9-5-4-6-10-17)31-16(2)26(36)32-20-12-8-7-11-18(20)15-21(32)29(40)43-30-24(35)22(33)23(34)25(42-30)27(37)38/h4-6,9-10,16,18-25,30-31,33-35H,3,7-8,11-15H2,1-2H3,(H,37,38)/t16-,18+,19-,20-,21-,22?,23-,24?,25?,30-/m0/s1

IUPAC

(3S,6S)-6-[(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat