Catalogue Number: MD287
Selexipag metabolite MRE-269 acyl-β-D-glucuronide
[2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]acetate] β-D-glucopyranuronic acid, Selexipag active metabolite ACT-333679 acyl-β-D-glucuronide
Categories
Properties
- CAS Number
- N/A
- Molecular Formula
- C31H37N3O9
- Molecular Weight
- 595.64
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- Light Yellow Crystalline 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,6S)-3,4,5-Trihydroxy-6-({4-[(isopropyl)(5,6-diphenyl-2-pyrazinyl)amino]butoxy}acetoxy)tetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C31H37N3O9/c1-19(2)34(22-17-32-24(20-11-5-3-6-12-20)25(33-22)21-13-7-4-8-14-21)15-9-10-16-41-18-23(35)42-31-28(38)26(36)27(37)29(43-31)30(39)40/h3-8,11-14,17,19,26-29,31,36-38H,9-10,15-16,18H2,1-2H3,(H,39,40)/t26-,27-,28+,29-,31+/m0/s1
InChI Key
WBXBYPNNVWZVPR-SQQOACJHSA-N
Smiles
O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC(COCCCCN(C1=NC(=C(N=C1)C1=CC=CC=C1)C1=CC=CC=C1)C(C)C)=O)C(=O)O