Identidad
2-Methyl-N-[4-[(2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]phenyl]benzamide
CAS 137976-61-5 · C25H22N2O3
01Identidad
| ID de LazyChem | LC-20714 |
|---|---|
| CAS RN | 137976-61-5 |
| PubChem CID | 10810881 |
| Fórmula molecular | C25H22N2O3 |
| Masa molecular | 398.46 g/mol |
| Nombre IUPAC | 2-methyl-N-(4-(5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)benzamide |
| InChIKey | VQGMMQBJIJUSEG-UHFFFAOYSA-N |
02Estructura y estereoquímica
Estructura 2DPubChem CID 10810881
![Estructura 2D: 2-Methyl-N-[4-[(2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]phenyl]benzamide, CAS 137976-61-5](/structures/pubchem/10810881/137976-61-5-2-methyl-n-4-2-3-4-5-tetrahydro-5-oxo-1h-1-benzazepin-1-yl-carbonyl-phenyl-benzamide-2d-structure-900.png)
| Fórmula molecular | C25H22N2O3 |
|---|---|
| InChIKey | VQGMMQBJIJUSEG-UHFFFAOYSA-N |
| Número de anillos | 4 |
| Estereocentros definidos | 0 |
| Estereocentros no asignados | 0 |
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(=O)C4=CC=CC=C43 |
|---|---|
| InChI | InChI=1S/C25H22N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15H,6,11,16H2,1H3,(H,26,29) |
03Estado en India
Solo se compara el compuesto exacto con los identificadores publicados. Confirme el instrumento oficial vigente antes de tomar una decisión regulatoria.
04Nombres y relaciones
API y fármaco de origen
Mozavaptan
Impurezas y compuestos relacionadosNombres y relaciones
- Mozavaptan Impurity 1
- 2-methyl-N-[4-(5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]benzamide
- 2-Methyl-N-(4-(5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)benzamide
- 2-methyl-N-[4-(5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)phenyl]benzamide
- VQGMMQBJIJUSEG-UHFFFAOYSA-N
- DB-303616
- 2-methyl-4'-[(5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]benzanilide
- 2-Methyl-N-{4-[(5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]phenyl}benzamide
- 5-oxo-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
05Fuentes
- S01PubChem CID 10810881
Estructura e identificadores químicos legibles por máquina.
