| SpectraBase Spectrum ID |
Ic3w9HTfG1p |
| Name |
Diltiazem |
| CAS Registry Number |
42399-41-7 |
| Classification |
Ca Antagonist |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
CC(=O)OC1C(=O)N(CCN(C)C)c2c(cccc2)SC1c1ccc(OC)cc1 |
| SPLASH |
splash10-0a4i-9100000000-2f61e3d5dfc1f871fcca |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G P U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2504 |
![5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate](/api/spectrum/Ic3w9HTfG1p/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")
