| SpectraBase Spectrum ID |
DmKIHfokglc |
| Name |
Diltiazem-M (desamino OH,-H2O) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
369.103479266 u |
| Formula |
C20H19NO4S |
| InChI |
InChI=1S/C20H19NO4S/c1-4-21-16-7-5-6-8-17(16)26-19(18(20(21)23)25-13(2)22)14-9-11-15(24-3)12-10-14/h4-12,18-19H,1H2,2-3H3 |
| InChIKey |
FGTNSKZTULGDDS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
369.435 g/mol |
| Nominal Mass |
369 u |
| Quality |
918 |
| Retention Index |
2767 |
| SMILES |
C1(C(C(N(C=2C(S1)=CC=CC2)C=C)=O)OC(=O)C)C1=CC=C(C=C1)OC |
| SPLASH |
splash10-0zfr-1922000000-1973807dc3ba55e225da |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-ethenyl-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000967 |
