Chemical identity
Brexpiprazole Impurity 78 (DiHCl Salt)
CAS not listed · 778.90 g/mol
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-08622 |
|---|---|
| PubChem CID | 175673584 |
| Name | Brexpiprazole Impurity 78 (DiHCl Salt) |
| CAS RN | Not listed |
| Molecular formula | 778.90 g/mol |
| Molecular weight | C41H49Cl2N5O2S2 |
| IUPAC name | 7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)-1-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butyl)quinolin-2(1H)-one dihydrochloride |
| InChIKey | SQRPOWXCJOBIQL-UHFFFAOYSA-N |
02Structure identifiers

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 8 |
| Secondary amines | 0 |
| Tertiary amines | 4 |
| N-methyl amine sites | 0 |
| SMILES | O=C(N1CCCCN2CCN(C3=C4C(SC=C4)=CC=C3)CC2)C=CC5=C1C=C(OCCCCN(CC6)CCN6C7=C8C=CSC8=CC=C7)C=C5.Cl.Cl |
|---|---|
| InChI | Not listed |
| Formula from structure | C41H49Cl2N5O2S2 |
| Molecular weight from structure | 778.92 g/mol |
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 | NO EXACT MATCH FOUND | No CAS number is available for an exact comparison. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | No CAS number is available for an exact comparison. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · reviewed 2026-08-01
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · reviewed 2026-08-01
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · reviewed 2026-08-01
04Names and relationships
Associated parent compound
Brexpiprazole
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 175673584
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.
