| SpectraBase Spectrum ID |
8G9z56RdeSW |
| Name |
Diltiazem-M (O-desmethyldesamino,OH,-H2O) AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
397.098393885 u |
| Formula |
C21H19NO5S |
| InChI |
InChI=1S/C21H19NO5S/c1-4-22-17-7-5-6-8-18(17)28-20(19(21(22)25)27-14(3)24)15-9-11-16(12-10-15)26-13(2)23/h4-12,19-20H,1H2,2-3H3 |
| InChIKey |
PQPWKEQOTKYYOE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
397.445 g/mol |
| Nominal Mass |
397 u |
| Quality |
926 |
| Retention Index |
2963 |
| SMILES |
C1(C(C(N(C=2C(S1)=CC=CC2)C=C)=O)OC(=O)C)C=1C=CC(=CC1)OC(=O)C |
| SPLASH |
splash10-000i-2922000000-a68f87b89a0fa0e7e58f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(3-(acetyloxy)-5-ethenyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000964 |
