| SpectraBase Spectrum ID |
JHcLxh5p2US |
| Name |
Diltiazem-M (O-desmethyl,desamino OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
457.119523252 u |
| Formula |
C23H23NO7S |
| InChI |
InChI=1S/C23H23NO7S/c1-14(25)29-13-12-24-19-6-4-5-7-20(19)32-22(21(23(24)28)31-16(3)27)17-8-10-18(11-9-17)30-15(2)26/h4-11,21-22H,12-13H2,1-3H3 |
| InChIKey |
BZRJHJFJQUZPGT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
457.497 g/mol |
| Nominal Mass |
457 u |
| Quality |
920 |
| Retention Index |
3381 |
| SMILES |
C1(C(C(N(C=2C(S1)=CC=CC2)CCOC(=O)C)=O)OC(=O)C)C=1C=CC(=CC1)OC(=O)C |
| SPLASH |
splash10-002r-1911000000-2d65427ea4cb5c37da23 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(3-(acetyloxy)-5-(2-(acetyloxy)ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000963 |
