2D structurePubChem CID 115237
Идентичност
Paliperidone
Не е посочено · C23H27FN4O3
01Идентичност
| Lazychem ID | LC-52231 |
|---|---|
| CAS RN | Не е посочено |
| PubChem CID | 115237 |
| Molecular formula | C23H27FN4O3 |
| Molecular weight | 426.5 g/mol |
| IUPAC name | 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
| InChIKey | PMXMIIMHBWHSKN-UHFFFAOYSA-N |
02Структура и стереохимия
2D structurePubChem CID 115237
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F |
|---|---|
| InChI | Не е посочено |
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
2 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 9802545
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.
04Статус в Индия
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Имена и връзки
API и изходно лекарство
Не е посочено
Имена и връзки
06Източници
- S01PubChem CID 115237
Structure and machine-readable chemical identifiers.