2D structurePubChem CID 139338844
Chemical identity
Baloxavir Marboxil Impurity 21
CAS 2365473-17-0 · C27H22F2N2O6S
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-07655 |
|---|---|
| PubChem CID | 139338844 |
| Name | Baloxavir Marboxil Impurity 21 |
| CAS RN | 2365473-17-0 |
| Molecular formula | C27H22F2N2O6S |
| Molecular weight | 540.54 g/mol |
| IUPAC name | (S)-((1'-(7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4',6'-dioxo-1',2',4',6'-tetrahydrospiro[cyclopropane-1,3'-pyrido[1,2-b]pyridazin]-5'-yl)oxy)methyl methyl carbonate |
| InChIKey | XNCHLCOISMLPJG-QFIPXVFZSA-N |
02Structure identifiers
2D structurePubChem CID 139338844
The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 6 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| N-methyl amine sites | 0 |
| SMILES | COC(=O)OCOC1=C2C(=O)C3(CC3)CN(N2C=CC1=O)[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F |
|---|---|
| InChI | Not listed |
| Formula from structure | C27H22F2N2O6S |
| Molecular weight from structure | 540.54 g/mol |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04India 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 | CAS 2365473-17-0 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 2365473-17-0 has no exact match in the reviewed SCOMET list. |
| 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
05Names and relationships
Associated parent compound
Baloxavir Marboxil
View API and impurity familyOther names
No synonyms are listed.
06Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No dated history available
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
07Sources
- S01PubChem compound record, CID 139338844
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.