| SpectraBase Spectrum ID |
8udvai3crfO |
| Name |
Diltiazem-M (O-demethyl-) AC |
| Classification |
Ca Antagonist |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.156243114 u |
| Formula |
C23H26N2O5S |
| InChI |
InChI=1S/C23H26N2O5S/c1-15(26)29-18-11-9-17(10-12-18)22-21(30-16(2)27)23(28)25(14-13-24(3)4)19-7-5-6-8-20(19)31-22/h5-12,21-22H,13-14H2,1-4H3 |
| InChIKey |
XNHIWNXIIJPWLD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.530 g/mol |
| SMILES |
c1(C2C(OC(C)=O)C(N(CCN(C)C)c3c(cccc3)S2)=O)ccc(cc1)OC(C)=O |
| SPLASH |
splash10-0a4i-9100000000-8c1ab47b8c7c59f5c3f0 |
| 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: 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_2701 |
