2D structurePubChem CID 176476963
Chemical identity
Simvastatin Impurity 21
CAS not listed · C18H30O3
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-28117 |
|---|---|
| PubChem CID | 176476963 |
| Name | Simvastatin Impurity 21 |
| CAS RN | Not listed |
| Molecular formula | C18H30O3 |
| Molecular weight | 294.43 g/mol |
| IUPAC name | (2S,4R)-6-[(1S,2S,6R,8S)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]hexane-2,4-diol |
| InChIKey | WILKRHSPZPHHIZ-MEXSBJDLSA-N |
02Structure identifiers
2D structurePubChem CID 176476963
Structure facts for this exact identity.
| Molecular formula | C18H30O3 |
|---|---|
| InChIKey | WILKRHSPZPHHIZ-MEXSBJDLSA-N |
| Ring count | 2 |
| Defined stereocentres | 6 |
| Unassigned stereocentres | 1 |
| SMILES | C[C@@H]1C[C@@H](C2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](C)O)O)O |
|---|---|
| InChI | InChI=1S/C18H30O3/c1-11-8-14-5-4-12(2)16(18(14)17(21)9-11)7-6-15(20)10-13(3)19/h4-5,8,11-13,15-21H,6-7,9-10H2,1-3H3/t11-,12-,13-,15+,16-,17-,18?/m0/s1 |
03Stereochemistry
The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
Defined stereocentres62D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before 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.
04India status for this compound
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NOT FOUND IN REVIEWED ENTRIES | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | No CAS number is available for an exact comparison. 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
05Names and relationships
Associated parent compound
Simvastatin
View API and impurity familyOther names
No synonyms are listed.
06Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No dated history available
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
07Sources
- S01PubChem compound record, CID 176476963
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.