| CAS Number | 83881-09-8 |
| Catalog Number | AG00G59F(AGN-PC-0UPOQJ) |
| Chemical Name | 21-Chloro-17a-[(2-furanylcarbonxyl)oxy]-9b,11b-oxido-16a-methylpregna-1,4-diene-3,20-dioneMometasone Furoate Impurity D |
| IUPAC Name | [(1S,2S,10S,11S,13R,14R,15S,17R)-14-(2-chloroacetyl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] furan-2-carboxylate |
| InChI | InChI=1S/C27H29ClO6/c1-15-11-19-18-7-6-16-12-17(29)8-9-24(16,2)27(18)22(33-27)13-25(19,3)26(15,21(30)14-28)34-23(31)20-5-4-10-32-20/h4-5,8-10,12,15,18-19,22H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,22-,24+,25+,26+,27-/m1/s1 |
| InChI Key | PGAGVJAYRDPYKY-XYFUNLQESA-N |
| MDL Number | MFCD11112053 |
| Molecular Formula | C27H29ClO6 |
| Molecular Weight | 484.9686 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)c6occc6)C(=O)CCl |
| Synonyms | 83881-09-8,
21-Chloro-17|A-[(2-furanylcarbonxyl)oxy]-9|A,11|A-oxido-16|A-methylpregna-1,4-diene-3,20-dione,
|
| Complexity | 1030 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 484.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 484.973g/mol |
| Monoisotopic Mass | 484.165g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number