| SpectraBase Spectrum ID |
DAXE7YyVslb |
| Name |
Clemizole-M (di-HO-methoxy-) 2AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
471.156098644 u |
| Formula |
C24H26ClN3O5 |
| InChI |
InChI=1S/C24H26ClN3O5/c1-15(29)32-20-12-19-22(24(31-3)23(20)33-16(2)30)26-21(14-27-10-4-5-11-27)28(19)13-17-6-8-18(25)9-7-17/h6-9,12H,4-5,10-11,13-14H2,1-3H3 |
| InChIKey |
ZYGFXTJWCLPNMB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
471.941 g/mol |
| SMILES |
c12nc(CN3CCCC3)[n](c1cc(c(c2OC)OC(=O)C)OC(=O)C)Cc1ccc(cc1)Cl |
| SPLASH |
splash10-002f-1924100000-81cae7132b3bc31fc8d6 |
| 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_5653 |
