Catalogue Number: MD219
Mirabegron carbamoyl-β-D-glucuronide
1-[N-[2-[4-[[2-(2-Amino-4-thiazolyl)acetyl]amino]phenyl]ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]carbamate] β-D-glucopyranuronic acid, YM 538859, Mirabegron metabolite M13
Categories
Properties
- CAS Number
- 1365244-67-2
- Molecular Formula
- C28H32N4O10S
- Molecular Weight
- 616.64
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- Beige Solid
- Solubility
- DMSO, MeOH
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Related Products
FD741
Febuxostat acyl-β-D-glucuronide
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-6-[2-[4-[[2-(2-Amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethyl-[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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
IJLOKJZIHTWZDZ-FBZAMZGSSA-N
Smiles
NC=1SC=C(N1)CC(=O)NC1=CC=C(C=C1)CCN(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C[C@@H](C1=CC=CC=C1)O