2D structurePubChem CID 11188745
API and parent drug
Bicyclopyrone
CAS 352010-68-5 · C19H20F3NO5 · 1 related records
01API identity and structure
2D structurePubChem CID 11188745
| API / medicine name | Bicyclopyrone |
|---|---|
| CAS RN | 352010-68-5 |
| PubChem CID | 11188745 |
| Molecular formula | C19H20F3NO5 |
| Molecular weight | 399.4 g/mol |
| IUPAC name | (1S,5R)-3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]bicyclo[3.2.1]octane-2,4-dione |
| Defined stereocentres | 2 |
| Unassigned stereocentres | 0 |
| SMILES | COCCOCC1=C(C=CC(=N1)C(F)(F)F)C(=C2C(=O)[C@@H]3CC[C@@H](C3)C2=O)O |
|---|---|
| InChI | Not listed |
| InChIKey | AIAYSXFWIUNXRC-PHIMTYICSA-N |
02Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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 352010-68-5 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 Bicyclopyrone. 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 11334953
06Sources
- S01PubChem compound record, CID 11188745
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.