Chemical identity
Pitofenone Acid
CAS 130566-58-4 · C21H23NO4
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-25566 |
|---|---|
| PubChem CID | 18967741 |
| Name | Pitofenone Acid |
| CAS RN | 130566-58-4 |
| Molecular formula | C21H23NO4 |
| Molecular weight | 353.4 g/mol |
| IUPAC name | 2-[4-[2-(1-Piperidinyl)ethoxy]benzoyl]benzoic Acid |
| InChIKey | GCJCKBKILAIZKT-UHFFFAOYSA-N |
02Structure identifiers
Structure facts for this exact identity.
| Molecular formula | C21H23NO4 |
|---|---|
| InChIKey | GCJCKBKILAIZKT-UHFFFAOYSA-N |
| Ring count | 3 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | O=C(O)C1=CC=CC=C1C(C2=CC=C(OCCN3CCCCC3)C=C2)=O |
|---|---|
| InChI | InChI=1S/C21H23NO4/c23-20(18-6-2-3-7-19(18)21(24)25)16-8-10-17(11-9-16)26-15-14-22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,24,25) |
03India 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 | CAS 130566-58-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 130566-58-4 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
04Names and relationships
Associated parent compound
Pitofenone
View API and impurity familyOther names
- 2-(4-(2-(Piperidin-1-yl)ethoxy)benzoyl)benzoic Acid
05Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
06Sources
- S01PubChem compound record, CID 18967741
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.