2D structurePubChem CID 189821
Identita
Deflazacort
CAS 14484-47-0 · C25H31NO6
01Identita
| Lazychem ID | LC-100603 |
|---|---|
| CAS RN | 14484-47-0 |
| PubChem CID | 189821 |
| Molecular formula | C25H31NO6 |
| Molecular weight | 441.5 g/mol |
| IUPAC name | [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate |
| InChIKey | FBHSPRKOSMHSIF-GRMWVWQJSA-N |
02Struktura a stereochemie
2D structurePubChem CID 189821
The parsed structure contains 5 rings, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 8 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C |
|---|---|
| InChI | Neuvedeno |
03Stereochemistry
The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
- DEFLAZACORT
- 14484-47-0
- Emflaza
- Deflazacortum
- DTXSID9020378
- MDL 458
- DL-458IT
- L-5458
- KR5YZ6AE4B
- DTXCID10378
- 5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-
- Deflazacort Oral
06Zdroje
- S01PubChem CID 189821
Structure and machine-readable chemical identifiers.