CAS 1015167-40-4

Fórmula: C31H33N7O9

InChI: InChI=1S/C31H33N7O9/c1-37-20-10-7-17(14-19(20)36-22(37)15-35-18-8-5-16(6-9-18)28(32)33)29(43)38(21-4-2-3-12-34-21)13-11-23(39)46-31-26(42)24(40)25(41)27(47-31)30(44)45/h2-10,12,14,24-27,31,35,40-42H,11,13,15H2,1H3,(H3,32,33)(H,44,45)/t24-,25-,26+,27-,31+/m0/s1

Chave InChI: CSZFDMHIDSUHPI-KWONYSJQSA-N

SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=N4)N=C1CNC5=CC=C(C=C5)C(=N)N

Dabigatran Acyl-β-D-Glucuronide

CAS: 1015167-40-4

Fórmula: C₃₁H₃₃N₇O₉

Cor e Forma: White To Off-White Solid

Peso molecular: 647.65

Ref: 4Z-D-595

Dabigatran Acyl-Beta-D-Glucuronide Trifluoroacetic Acid Salt (80%)

CAS: 1015167-40-4

Stability Unstable in Solution
Applications Dabigatran Acyl-β-D-Glucuronide Trifluoroacetic Acid Salt is a major metabolite of Dabigatran (D100090) in humans. Four isomeric acylglucuronides of Dabigatran were isolated and purified from urine of dosed rhesus monkeys.  NMR analysis confirmed the structures of the four metabolites as the 1-O-acylglucuronide (β anomer) and the 2-O-, 3-O-, and 4-O-acylglucuronides (α and β anomers).
References Becker, B., et al.: Biochem. J., 314, 249 (1996), Bailey, M., et al.: Chem. Biol. Interact., 145, 117 (2004), Blech, S., et al.: Drug Metab. Dispos., 2008, 36, 386 (2008),

Fórmula: C₃₁H₃₃N₇O₉•x(C₂HF₃O₂)

Pureza: 80%

Cor e Forma: Neat

Peso molecular: 647.6411402

Ref: TR-D100085

Dabigatran Acyl-β-D-Glucuronide-d3

CAS: 1015167-40-4

Fórmula: C₃₁H₃₀D₃N₇O₉

Peso molecular: 650.66

Ref: 4Z-D-5964

Dabigatran Acyl-ß-D-Glucuronide

CAS: 1015167-40-4

Fórmula: C₃₁H₃₃N₇O₉

Peso molecular: 647.6

Ref: BE-MU-7356

Dabigatran Acyl-β-D-Glucuronide-d3 Trifluoroacetic Acid (>80%)

Produto Controlado

CAS: 1015167-40-4

Fórmula: C₃₁H₃₀D₃N₇O₉·xTFA

Cor e Forma: Neat

Peso molecular: 650.654

Ref: TR-D100087

Dabigatran acyl-b-D-glucuronide

CAS: 1015167-40-4

Dabigatran acyl-b-D-glucuronide is a synthetic, high purity, high quality carbohydrate that has been modified by fluorination and methylation. It is an oligosaccharide with a glycosylation site at the reducing end of the sugar. Dabigatran acyl-b-D-glucuronide is a carbohydrate that can be synthesized in custom amounts for research purposes.

Fórmula: C₃₁H₃₃N₇O₉

Pureza: Min. 95%

Peso molecular: 647.64 g/mol

Ref: 3D-MD44479

Dabigatran β-Acyl Glucuronide

CAS: 1015167-40-4

Fórmula: C₃₁H₃₃N₇O₉

Peso molecular: 647.65

Ref: ST-EA-CP-D5062