Catalogue Number: ED242
Esaxerenone O-β-D-glucuronide
2-[3-Methyl-4-[[[4-(methylsulfonyl)phenyl]amino]carbonyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrrol-1-yl]ethyl β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- 2247272-70-2
- Molecular Formula
- C28H29F3N2O10S
- Molecular Weight
- 642.60
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- White 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.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[3-methyl-4-[(4-methylsulfonylphenyl)carbamoyl]-2-[2-(trifluoromethyl)phenyl]pyrrol-1-yl]ethoxy]oxane-2-carboxylic acid
InChI
InChI=1S/C28H29F3N2O10S/c1-14-18(25(37)32-15-7-9-16(10-8-15)44(2,40)41)13-33(20(14)17-5-3-4-6-19(17)28(29,30)31)11-12-42-27-23(36)21(34)22(35)24(43-27)26(38)39/h3-10,13,21-24,27,34-36H,11-12H2,1-2H3,(H,32,37)(H,38,39)/t21-,22-,23+,24-,27+/m0/s1
InChI Key
MVOYAEHVDCIAQE-RTCYWULBSA-N
Smiles
C(CO[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)N2C(=C(C)C(C(NC3=CC=C(S(C)(=O)=O)C=C3)=O)=C2)C4=C(C(F)(F)F)C=CC=C4