| SpectraBase Spectrum ID |
B3nPBpoUCpB |
| Name |
Clemizole-M 2AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.098249415 u |
| Formula |
C20H19ClN2O5 |
| InChI |
InChI=1S/C20H19ClN2O5/c1-12(24)27-11-20-22-16-8-18(26-3)19(28-13(2)25)9-17(16)23(20)10-14-4-6-15(21)7-5-14/h4-9H,10-11H2,1-3H3 |
| InChIKey |
BYTHYYZXZWKFFD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
402.834 g/mol |
| SMILES |
COc1c(cc2[n](c(nc2c1)COC(=O)C)Cc1ccc(cc1)Cl)OC(=O)C |
| SPLASH |
splash10-01t9-1927000000-43bc2dc519a02f8c79a4 |
| 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 (HO-methoxy-deamino-HO-) 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5650 |
