Metopimazine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001395
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001395 contains the MS mass spectrum of Metopimazine with the InChIkey BQDBKDMTIJBJLA-UHFFFAOYSA-N.
Source: Metopimazine
Chemical Info
| InChI | InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26) |
|---|---|
| SMILES | NC(=O)C(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(S(C)(=O)=O)3)Sc(cccc2)1 |
| InChI Key | BQDBKDMTIJBJLA-UHFFFAOYSA-N |
| Molecular Formula | C22H27N3O3S2 |
| Exact Mass | 445.149 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 3db47e1c-900d-4942-88c1-6c1c8e1b61e7 |
| Package id | msbnk-waters-wa001395 |
| Resource type | HTML |
| State | active |