Diltiazem
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000852
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000852 contains the MS mass spectrum of Diltiazem with the InChIkey HSUGRBWQSSZJOP-RTWAWAEBSA-N.
Source: Diltiazem
Chemical Info
| InChI | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 |
|---|---|
| SMILES | CN(C)CCN(C(=O)1)c(c3)c(ccc3)SC(c(c2)ccc(OC)c2)C(OC(C)=O)1 |
| InChI Key | HSUGRBWQSSZJOP-RTWAWAEBSA-N |
| Molecular Formula | C22H26N2O4S |
| Exact Mass | 414.161 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 | 5c100b00-c4e5-4358-a179-0128e756cb9d |
| Package id | msbnk-waters-wa000852 |
| Resource type | HTML |
| State | active |