Product Information
Name:Mirabegron N-Carbamoylglucuronide
Controlled Product
Synonyms:
- β-D-Glucopyranuronic Acid 1-[N-[2-[4-[[2-(2-Amino-4-thiazolyl)acetyl]amino]phenyl]ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]carbamate]
Brand:TRC
Description:Applications Mirabegron N-Carbamoylglucuronide is a metabolite of Mirabegron (M364900).
References van Teijilingen, R., et al.: J. Chromat. B., 887, 102 (2012)
Notice:Our products are intended for lab use only. For any other use, please contact us.
Chemical properties
Molecular weight:616.639
Formula:C28H32N4O10S
Color/Form:Neat
InChI:InChI=1S/C28H32N4O10S/c29-27-31-18(14-43-27)12-20(34)30-17-8-6-15(7-9-17)10-11-32(13-19(33)16-4-2-1-3-5-16)28(40)42-26-23(37)21(35)22(36)24(41-26)25(38)39/h1-9,14,19,21-24,26,33,35-37H,10-13H2,(H2,29,31)(H,30,34)(H,38,39)/t19-,21-,22-,23+,24-,26-/m0/s1
InChI key:InChIKey=IJLOKJZIHTWZDZ-GLHPWIKGSA-N
SMILES:Nc1nc(CC(=O)Nc2ccc(CCN(C[C@@H](O)c3ccccc3)C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cs1
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