| SpectraBase Spectrum ID |
GOOvIpMYlLJ |
| Name |
Clemizole-M -H2O AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
411.134969277 u |
| Formula |
C22H22ClN3O3 |
| InChI |
InChI=1S/C22H22ClN3O3/c1-15(27)29-21-12-19-18(11-20(21)28-2)24-22(14-25-9-3-4-10-25)26(19)13-16-5-7-17(23)8-6-16/h3-8,11-12H,9-10,13-14H2,1-2H3 |
| InChIKey |
BRSJIUFKGZZTDR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
411.889 g/mol |
| SMILES |
COc1c(cc2[n](c(nc2c1)CN1CC=CC1)Cc1ccc(cc1)Cl)OC(=O)C |
| SPLASH |
splash10-002f-3895200000-a62bf76905fd63e68a55 |
| 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 |
Clemizole-M (di-HO-methoxy-) -H2O AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5655 |
