Chemical identity
4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid
CAS 179162-55-1 · C21H21NO4
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-20259 |
|---|---|
| PubChem CID | 9975224 |
| Name | 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid |
| CAS RN | 179162-55-1 |
| Molecular formula | C21H21NO4 |
| Molecular weight | 351.40 g/mol |
| IUPAC name | 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid |
| InChIKey | PDTXSIGPZDVVIX-UHFFFAOYSA-N |
02Structure identifiers
Structure facts for this exact identity.
| Molecular formula | C21H21NO4 |
|---|---|
| InChIKey | PDTXSIGPZDVVIX-UHFFFAOYSA-N |
| Ring count | 3 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | O=C(O)C1=CC=C(C2=NOC(C3=CC=C(OCCCCC)C=C3)=C2)C=C1 |
|---|---|
| InChI | InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24) |
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 179162-55-1 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 179162-55-1 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
Micafungin
View API and impurity familyOther names
- Micafungin Impurity 3
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 9975224
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.