Direct N-nitroso substructure search.
API and parent drug
Lapatinib
CAS 231277-92-2 · C29H26ClFN4O4S · 12 related records
01API identity and structure
2D structurePubChem CID 208908
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| API / medicine name | Lapatinib |
|---|---|
| CAS RN | 231277-92-2 |
| PubChem CID | 208908 |
| Molecular formula | C29H26ClFN4O4S |
| Molecular weight | 581.1 g/mol |
| IUPAC name | N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 0 |
| SMILES | CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl |
|---|---|
| InChI | Not listed |
| InChIKey | BCFGMOOMADDAQU-UHFFFAOYSA-N |
02Structural nitrosamine screen
This is a structure-only screen for the API. It does not predict manufacturing conditions, nitrite exposure, reaction kinetics or analytical results.
A detected secondary amine is a structural alert that requires process-specific assessment.
N-dealkylation can be relevant to impurity pathway assessment. A methyl group elsewhere in the molecule is not treated as a nitrosamine alert.
Interpretation: Formation potential cannot be concluded from structure alone. Review the synthesis, recovered solvents, amine reagents, nitrite sources, pH, temperature and purge controls.
03India status for this compound
The result below applies only to this exact compound identity and CAS number.
| NDPS / RCS | NO EXACT MATCH FOUND | No exact match for this compound is present in the reviewed record. Confirm against the current official schedule before making a regulatory decision. |
|---|---|---|
| SCOMET | NO EXACT CAS MATCH FOUND | CAS 231277-92-2 does not have an exact match in the reviewed SCOMET entries. |
| Review date | 2026-08-01 | Check the current official instruments for the material, activity and date in question. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India
04Impurities and related compounds
Records whose supplied parent field identifies Lapatinib. Each link opens the exact chemical identity page.
2D structurePubChem CID 11181296
2D structurePubChem CID 7059263
3-Chloro-4-(3-fluoro-benzyloxy)-phenylamine
202197-26-0
2D structurePubChem CID 9893671
Deschloro Lapatinib
633370-23-7
2D structurePubChem CID 68178766
Lapatinib 2-Fluoro Impurity
1393112-45-2
2D structurePubChem CID 10438224
Lapatinib 4-Fluoro Impurity
1026818-86-9
2D structurePubChem CID 49856711
Lapatinib Carboxylic Acid Impurity
1152131-73-1
2D structurePubChem CID 21952026
Lapatinib Desmesylethyl Impurity
697299-82-4
2D structurePubChem CID 24738004
2D structurePubChem CID 118753054
2D structurePubChem CID 10174519
![Two-dimensional chemical structure of N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine, CAS 231278-20-9](/structures/pubchem/10174519-300.png)
2D structurePubChem CID 71315271
O-De(3-fluorobenzyl) Lapatinib
1268997-70-1
2D structurePubChem CID 51348455
Selatinib
1275595-86-2
05Sources
- S01PubChem compound record, CID 208908
Structure, identifiers and machine-readable properties for the API identity.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. Vendor descriptions and contributed narrative text are not reproduced.
- S03Lazychem chemical records
Parent-family links are exact normalized matches to the supplied parent field. Structural alerts are calculated from the published API structure.