Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate
[2-[(1S,2S,4S,8S,9S,11S,13S)-6-[4-(dimethylamino)phenyl]-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-benzamido-2-methylpropanoate
Also Known As: TBI-PAB|Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate|Triamcinolone-16,17-(p-dimethylamino benzylidene)-21-(beta-benzoylamino)isobutyrate|Pregna-1,4-diene-3,20-dione, 21-(3-(benzoylamino)-2-methyl-1-oxopropoxy)-16,17-(((4-(dimethylamino)phenyl)methylene)bis(oxy))-9-fluoro-11-hydroxy-, (11beta,16alpha)-
| Molecular Formula | C41H47FN2O8 |
|---|---|
| Molecular Weight | 714.33167 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 714.33167 |
| Monoisotopic Mass | 714.33167 |
| Heavy Atoms | 52 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 78995-72-9 |
|---|---|
| SMILES | CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)[C@@]23[C@H](C[C@@H]4[C@@]2(C[C@@H](C5([C@H]4CCC6=CC(=O)C=C[C@@]65C)F)O)C)OC(O3)C7=CC=C(C=C7)N(C)C |
| InChIKey | NHLSSOMFJSWGTD-ZZXDHGFDSA-N |
Product Overview
Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate (CAS 78995-72-9), with molecular formula C41H47FN2O8 and molecular weight 714.33167 g/mol. IUPAC: [2-[(1S,2S,4S,8S,9S,11S,13S)-6-[4-(dimethylamino)phenyl]-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-benzamido-2-methylpropanoate.
Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate is a custom synthesis product. We offer services from milligram to kilogram scale.
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