| CAS Number | 192057-49-1 |
| Catalog Number | AG01CBH2(AGN-PC-0WH4S0) |
| Chemical Name | 17α-Des-(2-hydroxyacetyl)budesonide 17α-Carboxylic Acid |
| IUPAC Name | (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid |
| InChI | InChI=1S/C24H32O6/c1-4-5-19-29-18-11-16-15-7-6-13-10-14(25)8-9-22(13,2)20(15)17(26)12-23(16,3)24(18,30-19)21(27)28/h8-10,15-20,26H,4-7,11-12H2,1-3H3,(H,27,28)/t15-,16-,17-,18+,19?,20+,22-,23-,24-/m0/s1 |
| InChI Key | GHPORMLBYXHFAV-SREVKRBTSA-N |
| MDL Number | MFCD00683078 |
| Molecular Formula | C24H32O6 |
| Molecular Weight | 416.5073 |
| SMILES | CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)O |
| Synonyms | 17-Carboxy Budesonide,
192057-49-1,
SCHEMBL7741860,
|
| Complexity | 847 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.22g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.514g/mol |
| Monoisotopic Mass | 416.22g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number