2D structurePubChem CID 68867
Identité
Cinitapride
CAS 66564-14-5 · C21H30N4O4
01Identité
| Lazychem ID | LC-100826 |
|---|---|
| CAS RN | 66564-14-5 |
| PubChem CID | 68867 |
| Molecular formula | C21H30N4O4 |
| Molecular weight | 402.5 g/mol |
| IUPAC name | 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide |
| InChIKey | ZDLBNXXKDMLZMF-UHFFFAOYSA-N |
02Structure et stéréochimie
2D structurePubChem CID 68867
The parsed structure contains 3 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 | 3 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N |
|---|---|
| InChI | Non indiqué |
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.
04Statut en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
- Cinitapride
- 66564-14-5
- Paxapride
- Cinitaprida
- Cinitapridum
- 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide
- R8I97I2L24
- DTXSID60867232
- 4-Amino-N-(1-(3-cyclohexen-1-ylmethyl)-4-piperidyl)-2-ethoxy-5-nitrobenzamide
- RefChem:126231
- A03FA08
- DTXCID40815433
06Sources
- S01PubChem CID 68867
Structure and machine-readable chemical identifiers.