| SpectraBase Spectrum ID |
5ecXFSgtBSs |
| Name |
Clemizole-M (HO-methoxy-oxo-) AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
427.129883896 u |
| Formula |
C22H22ClN3O4 |
| InChI |
InChI=1S/C22H22ClN3O4/c1-14(27)30-20-10-17-18(11-19(20)29-2)26(12-15-6-3-4-7-16(15)23)21(24-17)13-25-9-5-8-22(25)28/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3 |
| InChIKey |
UQPWHDNTOWQNSN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
427.888 g/mol |
| SMILES |
CC(Oc1cc2c([n](c(n2)CN2C(=O)CCC2)Cc2ccccc2Cl)cc1OC)=O |
| SPLASH |
splash10-01t9-1697200000-6471fb2cb84eba6814fd |
| 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_2861 |
