| CAS Number | 1356190-17-4 |
| Catalog Number | AG009FLX(AGN-PC-0WBN8T) |
| Chemical Name | (11β)-21-Chloro-9-fluoro-11-hydroxy-16-methylpregna-1,4,16-triene-3,20-dione |
| IUPAC Name | (8S,10S,11S,13S,14S)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C22H26ClFO3/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,24)18(27)10-20(16,2)19(12)17(26)11-23/h6-7,9,15-16,18,27H,4-5,8,10-11H2,1-3H3/t15-,16-,18-,20-,21-,22?/m0/s1 |
| InChI Key | YWRGNRUKHBYFTD-AGPHWHDGSA-N |
| MDL Number | MFCD20264923 |
| Molecular Formula | C22H26ClFO3 |
| Molecular Weight | 392.8914 |
| SMILES | CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2C1 |
| Synonyms | (11|A)-21-Chloro-9-fluoro-11-hydroxy-16-methylpregna-1,4,16-triene-3,20-dione,
1356190-17-4,
|
| Complexity | 827 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.895g/mol |
| Monoisotopic Mass | 392.155g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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