2D structurePubChem CID 6917698
Identiteit
Cisapride
Niet vermeld · C23H29ClFN3O4
01Identiteit
| Lazychem ID | LC-83650 |
|---|---|
| CAS RN | Niet vermeld |
| PubChem CID | 6917698 |
| Molecular formula | C23H29ClFN3O4 |
| Molecular weight | 465.9 g/mol |
| IUPAC name | 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide |
| InChIKey | DCSUBABJRXZOMT-IRLDBZIGSA-N |
02Structuur en stereochemie
2D structurePubChem CID 6917698
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F |
|---|---|
| InChI | Niet vermeld |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
3 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 5311047
![Two-dimensional chemical structure of 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide](/structures/pubchem/5311047-300.png)
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CAS not listed
DCSUBABJRXZOMT-RBBKRZOGSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 13677779
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.
04Status in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen en relaties
API en moedergeneesmiddel
Niet vermeld
Namen en relaties
06Bronnen
- S01PubChem CID 6917698
Structure and machine-readable chemical identifiers.