Zafirlukast
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01108654
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01108654 contains the MS2 mass spectrum of Zafirlukast with the InChIkey YEEZWCHGZNKEEK-UHFFFAOYSA-N.
Source: Zafirlukast
Chemical Info
| InChI | InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) |
|---|---|
| SMILES | COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C |
| InChI Key | YEEZWCHGZNKEEK-UHFFFAOYSA-N |
| Molecular Formula | C31H33N3O6S |
| Exact Mass | 575.209 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | a8b1e90d-b9aa-4dac-8d07-6eeee1cc43aa |
| Package id | msbnk-eawag-eq01108654 |
| Resource type | HTML |
| State | active |