| SpectraBase Spectrum ID |
DFBtzJUbrBu |
| Name |
Diltiazem-M -H2O AC |
| Classification |
Ca Antagonist |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
397.098393885 u |
| Formula |
C21H19NO5S |
| InChI |
InChI=1S/C21H19NO5S/c1-4-22-17-7-5-6-8-18(17)28-20(19(21(22)25)27-14(3)24)15-9-11-16(12-10-15)26-13(2)23/h4-12,19-20H,1H2,2-3H3 |
| InChIKey |
PQPWKEQOTKYYOE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
397.445 g/mol |
| SMILES |
c1(C2C(OC(C)=O)C(N(c3ccccc3S2)C=C)=O)ccc(cc1)OC(=O)C |
| SPLASH |
splash10-000i-1924000000-86d97aab6d3bdfcb1a1e |
| 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 |
| Synonyms |
Diltiazem-M (O-demethyl-deamino-HO-) -H2O AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2704 |
