| SpectraBase Spectrum ID |
JFFAS8Pv4D2 |
| Name |
Diltiazem-M (desacetyl) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
372.150763812 u |
| Formula |
C20H24N2O3S |
| InChI |
InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3 |
| InChIKey |
NZHUXMZTSSZXSB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
372.483 g/mol |
| Nominal Mass |
372 u |
| Quality |
997 |
| Retention Index |
2949 |
| SMILES |
OC1C(C2=CC=C(C=C2)OC)SC=2C(N(C1=O)CCN(C)C)=CC=CC2 |
| SPLASH |
splash10-0a4i-9100000000-5d0ac4d0d60a5e560886 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-\r4(5H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000966 |
