2D structurePubChem CID 5511
API and parent drug
TOLPERISONE
CAS 728-88-1 · C16H23NO · 2 related records
01API identity and structure
2D structurePubChem CID 5511
| API / medicine name | TOLPERISONE |
|---|---|
| CAS RN | 728-88-1 |
| PubChem CID | 5511 |
| Molecular formula | C16H23NO |
| Molecular weight | 245.36 g/mol |
| IUPAC name | 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 1 |
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2 |
|---|---|
| InChI | Not listed |
| InChIKey | FSKFPVLPFLJRQB-UHFFFAOYSA-N |
02Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.
Defined stereocentres02D structure
Unassigned stereocentres12D structure
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.
03Structural nitrosamine screen
No record-level structural candidate is currently published for this identity.
This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.
04India status for this compound
The result below applies only to this exact compound identity and CAS number.
| NDPS / RCS | NOT FOUND IN REVIEWED ENTRIES | No exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 728-88-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
05Impurities and related compounds
Records whose supplied identity data explicitly associates them with TOLPERISONE. Each link opens the exact chemical identity page. A PubChem impurity label is not treated as an official pharmacopoeial designation unless an exact reviewed source states it.
2D structurePubChem CID 13245047
2D structurePubChem CID 21429
4′-Methylpropiophenone
5337-93-9
06Sources
- S01PubChem compound record, CID 5511
Structure, identifiers and machine-readable properties for the API identity.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. Vendor descriptions and contributed narrative text are not reproduced.
- S03Lazychem chemical records
Parent-family links use the supplied parent identity.