| SpectraBase Spectrum ID |
IFn0LcgYy |
| Name |
Clemizole-M (di-HO-) 2AC |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
441.145533961 u |
| Formula |
C23H24ClN3O4 |
| InChI |
InChI=1S/C23H24ClN3O4/c1-15(28)30-21-11-19-20(12-22(21)31-16(2)29)27(13-17-5-7-18(24)8-6-17)23(25-19)14-26-9-3-4-10-26/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3 |
| InChIKey |
BQECIAFFESCVNX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
441.915 g/mol |
| SMILES |
C1CN(Cc2[n](c3c(cc(c(c3)OC(=O)C)OC(=O)C)n2)Cc2ccc(cc2)Cl)CC1 |
| SPLASH |
splash10-0it9-2963000000-daa34ac0733a0d879707 |
| 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_5648 |
