Lapatinib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU252501
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU252501 contains the MS2 mass spectrum of Lapatinib with the InChIkey BCFGMOOMADDAQU-UHFFFAOYSA-N.
Source: Lapatinib
Chemical Info
| InChI | InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) |
|---|---|
| SMILES | CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 |
| InChI Key | BCFGMOOMADDAQU-UHFFFAOYSA-N |
| Molecular Formula | C29H26ClFN4O4S |
| Exact Mass | 580.135 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 00c2cd8f-a89b-4177-bfcb-9fdf501e08c0 |
| Package id | msbnk-athens_univ-au252501 |
| Resource type | HTML |
| State | active |