1. Primary Information
| English name: | Silodosin-beta,D-glucuronide |
| CAS No.: | 879396-70-0 |
| Molecular formula: | C31H40F3N3O10 |
| Molecular weight: | 671.7 g/mol |
| SMILES: | CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCOC3C(C(C(C(O3)C(=O)O)O)O)O)NCCOC4=CC=CC=C4OCC(F)(F)F |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | - | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3S,4S,5R,6R)-6-[3-[7-carbamoyl-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4.2 InChI
InChI=1S/C31H40F3N3O10/c1-17(36-8-12-44-21-5-2-3-6-22(21)46-16-31(32,33)34)13-18-14-19-7-10-37(23(19)20(15-18)28(35)41)9-4-11-45-30-26(40)24(38)25(39)27(47-30)29(42)43/h2-3,5-6,14-15,17,24-27,30,36,38-40H,4,7-13,16H2,1H3,(H2,35,41)(H,42,43)/t17-,24+,25+,26-,27+,30-/m1/s1
4.3 InChIKey
ZSZSAUNNNUTBDH-UPUDQGLBSA-N
4.4 Canonical SMILES
CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCOC3C(C(C(C(O3)C(=O)O)O)O)O)NCCOC4=CC=CC=C4OCC(F)(F)F
4.5 Isomeric SMILES
C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)NCCOC4=CC=CC=C4OCC(F)(F)F
