Chemical identity
2-hydroxy-4'-(methylsulfonyl)isobutyrophenone
CAS 180048-73-1 · C11H14O4S
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-15333 |
|---|---|
| PubChem CID | 15428514 |
| Name | 2-hydroxy-4'-(methylsulfonyl)isobutyrophenone |
| CAS RN | 180048-73-1 |
| Molecular formula | C11H14O4S |
| Molecular weight | 242.3 g/mol |
| IUPAC name | 2-Hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)propan-1-one |
| InChIKey | UXGJQQXURDIXEB-UHFFFAOYSA-N |
02Structure identifiers
Structure facts for this exact identity.
| Molecular formula | C11H14O4S |
|---|---|
| InChIKey | UXGJQQXURDIXEB-UHFFFAOYSA-N |
| Ring count | 1 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | O=S(C1=CC=C(C(C(C)(O)C)=O)C=C1)(C)=O |
|---|---|
| InChI | InChI=1S/C11H14O4S/c1-11(2,13)10(12)8-4-6-9(7-5-8)16(3,14)15/h4-7,13H,1-3H3 |
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 180048-73-1 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 180048-73-1 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
04Names and relationships
Associated parent compound
Firocoxib
View API and impurity familyOther names
- Firocoxib Impurity 1
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 15428514
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.