Chemical identity
1-ethyl-4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide
CAS not listed · C28H33F2N7O
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-31247 |
|---|---|
| PubChem CID | 175665307 |
| Name | 1-ethyl-4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide |
| CAS RN | Not listed |
| Molecular formula | C28H33F2N7O |
| Molecular weight | 521.60 g/mol |
| IUPAC name | 1-ethyl-4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide |
| InChIKey | HWTABKIDBWNYHR-UHFFFAOYSA-N |
02Structure identifiers
![2D structure: 1-ethyl-4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide](/structures/pubchem/175665307/no-cas-1-ethyl-4-6-5-fluoro-4-4-fluoro-1-isopropyl-2-methyl-1h-benzo-d-imidazol-6-yl-pyrimidin-2--2d-structure-900.png)
Structure facts for this exact identity.
| Molecular formula | C28H33F2N7O |
|---|---|
| InChIKey | HWTABKIDBWNYHR-UHFFFAOYSA-N |
| Ring count | 5 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | CC1=NC2=C(F)C=C(C3=NC(CC4=CC=C(CN5CC[N+](CC)([O-])CC5)C=N4)=NC=C3F)C=C2N1C(C)C |
|---|---|
| InChI | InChI=1S/C28H33F2N7O/c1-5-37(38)10-8-35(9-11-37)17-20-6-7-22(31-15-20)14-26-32-16-24(30)27(34-26)21-12-23(29)28-25(13-21)36(18(2)3)19(4)33-28/h6-7,12-13,15-16,18H,5,8-11,14,17H2,1-4H3 |
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 | 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
04Names and relationships
Associated parent compound
Abemaciclib
View API and impurity familyOther names
No synonyms are listed.
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 175665307
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.