| CAS Number | 25120-99-4 |
| Catalog Number | AG00C3CW(AGN-PC-0WOZDN) |
| Chemical Name | 21-Chloro-9-fluoro-11b,17-dihydroxy-16b-methylpregn-4-ene-3,20-dione 17-Propionate |
| IUPAC Name | [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| InChI | InChI=1S/C25H34ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h11,14,17-19,29H,5-10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1 |
| InChI Key | WWKWSAYUTWRZKP-XGQKBEPLSA-N |
| MDL Number | MFCD00001819 |
| Molecular Formula | C25H34ClFO5 |
| Molecular Weight | 468.9859 |
| SMILES | CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |
| Synonyms | 25120-99-4,
Clobetasol Propionate Impurity D,
21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregn-4-ene-3,20-dione 17-Propionate,
WWKWSAYUTWRZKP-XGQKBEPLSA-N,
|
| Complexity | 888 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.208g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 468.99g/mol |
| Monoisotopic Mass | 468.208g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number