2D structurePubChem CID 11667832
Identidade
Samidorphan
CAS 852626-89-2 · C21H26N2O4
01Identidade
| Lazychem ID | LC-101272 |
|---|---|
| CAS RN | 852626-89-2 |
| PubChem CID | 11667832 |
| Molecular formula | C21H26N2O4 |
| Molecular weight | 370.4 g/mol |
| IUPAC name | (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide |
| InChIKey | RYIDHLJADOKWFM-MAODMQOUSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 11667832
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
- SAMIDORPHAN
- 852626-89-2
- ALKS 33
- samidorfano
- RDC-0313-00
- 7W2581Z5L8
- RDC-0313
- DTXSID401030402
- (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
- ALKS-5461 COMPONENT SAMIDORPHAN
- samidorphanum
- RefChem:181100
06Fontes
- S01PubChem CID 11667832
Structure and machine-readable chemical identifiers.