1. Primary Information
| English name: | Fluticasone Dimer Impurity |
| CAS No.: | 220589-37-7 |
| Molecular formula: | C43H51F5O8S |
| Molecular weight: | 822.9 g/mol |
| SMILES: | CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OC5(C(CC6C5(CC(C7(C6CC(C8=CC(=O)C=CC87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | - | 58000 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
4.2 InChI
InChI=1S/C43H51F5O8S/c1-20-11-24-26-15-30(45)28-13-22(49)7-9-36(28,3)40(26,47)32(51)17-38(24,5)42(20,55)34(53)56-43(35(54)57-19-44)21(2)12-25-27-16-31(46)29-14-23(50)8-10-37(29,4)41(27,48)33(52)18-39(25,43)6/h7-10,13-14,20-21,24-27,30-33,51-52,55H,11-12,15-19H2,1-6H3/t20-,21-,24+,25+,26+,27+,30+,31+,32+,33+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
4.3 InChIKey
GTZKCEBOBPLPHH-AMISWYLQSA-N
4.4 Canonical SMILES
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OC5(C(CC6C5(CC(C7(C6CC(C8=CC(=O)C=CC87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F
4.5 Isomeric SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O[C@@]5([C@@H](C[C@@H]6[C@@]5(C[C@@H]([C@]7([C@H]6C[C@@H](C8=CC(=O)C=C[C@@]87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F
