Montelukast
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01072201
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01072201 contains the MS2 mass spectrum of Montelukast with the InChIkey UCHDWCPVSPXUMX-UHFFFAOYSA-N.
Source: Montelukast
Chemical Info
| InChI | InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39) |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O |
| InChI Key | UCHDWCPVSPXUMX-UHFFFAOYSA-N |
| Molecular Formula | C35H36ClNO3S |
| Exact Mass | 585.210 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 | d767b09d-fed3-4127-9267-643c9b713654 |
| Package id | msbnk-eawag-eq01072201 |
| Resource type | HTML |
| State | active |