| SpectraBase Spectrum ID |
2lrGNGSLoQK |
| Name |
Diltiazem |
| CAS Registry Number |
42399-41-7 |
| Classification |
Pharmaceutical drug, calcium antagonist |
| 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 |
414.161328495 u |
| Formula |
C22H26N2O4S |
| 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 |
| InChIKey |
HSUGRBWQSSZJOP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
414.520 g/mol |
| Nominal Mass |
414 u |
| Quality |
970 |
| Retention Index |
2938 |
| SMILES |
C1(C(C(N(C=2C(S1)=CC=CC2)CCN(C)C)=O)OC(=O)C)C=1C=CC(=CC1)OC |
| SPLASH |
splash10-0ab9-9200000000-4db7e09cc2a857eaed9d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
cis-(+)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-\rbenzothiazepin-4-(5H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014663 |
![5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate](/api/spectrum/2lrGNGSLoQK/structure.png?h=300&w=458 "5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate")
