2D structurePubChem CID 4494
Identidade
Nilvadipine
CAS 75530-68-6 · C19H19N3O6
01Identidade
| Lazychem ID | LC-101141 |
|---|---|
| CAS RN | 75530-68-6 |
| PubChem CID | 4494 |
| Molecular formula | C19H19N3O6 |
| Molecular weight | 385.4 g/mol |
| IUPAC name | 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChIKey | FAIIFDPAEUKBEP-UHFFFAOYSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 4494
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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
- nilvadipine
- 75530-68-6
- Escor
- Nivadil
- Nivadipine
- FR-34235
- Nilvadipino
- Nivadip
- FK 235
- Nilvadipinum
- Dl-nilvadipine
- SK&F 102,362
06Fontes
- S01PubChem CID 4494
Structure and machine-readable chemical identifiers.