Mirabegron Hydroxylamine-O-Glucuronide

Product Specifications

CAS Number

1365244-69-4

Synonyms

1-O-[[2-[4-[[2-(2-Amino-4-thiazolyl)acetyl]amino]phenyl]ethyl][(2R)-2-hydroxy-2-phenylethyl]amino]-β-D-glucopyranuronic acid; YM 9636324

Hazard Statement

No Data Available

Smiles

O=C(NC1=CC=C(CCN(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C[C@@H](C3=CC=CC=C3)O)C=C1)CC4=CSC(N)=N4

Molecular Formula

C27H32N4O9S

Molecular Weight

588.63

InChI

InChI=1S/C27H32N4O9S/c28-27-30-18(14-41-27)12-20(33)29-17-8-6-15(7-9-17)10-11-31(13-19(32)16-4-2-1-3-5-16)40-26-23(36)21(34)22(35)24(39-26)25(37)38/h1-9,14,19,21-24,26,32,34-36H,10-13H2,(H2,28,30)(H,29,33)(H,37,38)/t19-,21-,22-,23+,24-,26-/m0/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6S)-6-(((4-(2-(2-aminothiazol-4-yl)acetamido)phenethyl)((R)-2-hydroxy-2-phenylethyl)amino)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid