| CAS Number | 1305334-30-8 |
| Catalog Number | AG009FTG(AGN-PC-0WBNGC) |
| Chemical Name | MoMetasone Furoate IMpurity F |
| IUPAC Name | [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3,6-dioxo-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-17-yl] furan-2-carboxylate |
| InChI | InChI=1S/C27H28Cl2O7/c1-14-9-16-17-11-19(31)18-10-15(30)6-7-24(18,2)26(17,29)21(32)12-25(16,3)27(14,22(33)13-28)36-23(34)20-5-4-8-35-20/h4-8,10,14,16-17,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,21+,24+,25+,26+,27+/m1/s1 |
| InChI Key | XXMUYUVNHWPWLS-KORTYEGJSA-N |
| MDL Number | MFCD28359031 |
| Molecular Formula | C27H28Cl2O7 |
| Molecular Weight | 535.4130 |
| SMILES | O=C(C1=CC=CO1)O[C@]2([C@@]3([C@@]([C@@]4([H])[C@]([C@H](C3)O)([C@@]5(C(C(C4)=O)=CC(C=C5)=O)C)Cl)([H])C[C@H]2C)C)C(CCl)=O |
| Synonyms | 6-Oxo Mometasone Furoate,
1305334-30-8,
Mometasone Furoate EP Impurity F,
XXMUYUVNHWPWLS-KORTYEGJSA-N,
CS-T-60034,
|
| Complexity | 1100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 534.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 535.414g/mol |
| Monoisotopic Mass | 534.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number