| SpectraBase Spectrum ID |
1uUB3hQhs0 |
| Name |
Astemizole |
| CAS Registry Number |
68844-77-9 |
| Classification |
Antihistamine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
458.248189796 u |
| Formula |
C28H31FN4O |
| InChI |
InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) |
| InChIKey |
GXDALQBWZGODGZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
458.581 g/mol |
| SMILES |
c1(ccc(OC)cc1)CCN1CCC(CC1)Nc1nc2c(cccc2)[n]1Cc1ccc(cc1)F |
| SPLASH |
splash10-000j-9217000000-f2c567b367bdb132e90d |
| 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: G |
| 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_1774 |
