| SpectraBase Spectrum ID |
5ZnF2rTJcv2 |
| Name |
Astemizole |
| CAS Registry Number |
68844-77-9 |
| Classification |
Pharmaceutical drug, antihistaminic |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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 |
| Nominal Mass |
458 u |
| Quality |
794 |
| Retention Index |
3785 |
| SMILES |
C=1(N(C=2C(N1)=CC=CC2)CC1=CC=C(C=C1)F)NC1CCN(CC1)CCC=1C=CC(=CC1)OC |
| SPLASH |
splash10-0002-9712000000-9a24cf81c2ea1f20e320 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Astemizolo
Astemizolum
\r1-[4-Fluorobenzyl)benzimidazol-2-yl][1-(4-methoxyphenethyl-4-piperidyl]azan,Astemizol
1-(4-Fluorobenzyl)-N-1-4-methoxyphenethyl-4-piperidyl-1H-benzimidazol-2-ylamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012032 |
