2D structurePubChem CID 3086401
Identità
Quinagolide
CAS 87056-78-8 · C20H33N3O3S
01Identità
| Lazychem ID | LC-101240 |
|---|---|
| CAS RN | 87056-78-8 |
| PubChem CID | 3086401 |
| Molecular formula | C20H33N3O3S |
| Molecular weight | 395.6 g/mol |
| IUPAC name | (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline |
| InChIKey | GDFGTRDCCWFXTG-ZIFCJYIRSA-N |
02Struttura e stereochimica
2D structurePubChem CID 3086401
The parsed structure contains 3 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 | 3 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CC |
|---|---|
| InChI | Non indicato |
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.
04Stato in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomi e relazioni
API e farmaco progenitore
Non indicato
Nomi e relazioni
- Quinagolide
- 87056-78-8
- Quinagolidum
- CV 205-502
- (3S,4aS,10aR)-3-[(diethylsulfamoyl)amino]-1-propyl-1H,2H,3H,4H,4aH,5H,10H,10aH-benzo[g]quinolin-6-ol
- RefChem:871915
- G02CB04
- 80Q9QWN15M
- Quinagolida
- Norprolac
- (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
- rel-N,N-Diethyl-N'-[(3R,4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydro-6-hydroxy-1-propylbenzo[g]quinolin-3-yl]sulfamide
06Fonti
- S01PubChem CID 3086401
Structure and machine-readable chemical identifiers.