| SpectraBase Spectrum ID |
1iqjaI8czKV |
| Name |
Celiprolol |
| CAS Registry Number |
56980-93-9 |
| Classification |
Pharmaceutical drug, beta-adrenergic blocker |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
379.247106551 u |
| Formula |
C20H33N3O4 |
| InChI |
InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) |
| InChIKey |
JOATXPAWOHTVSZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
379.501 g/mol |
| Nominal Mass |
379 u |
| Quality |
839 |
| SMILES |
OC(CNC(C)(C)C)COC1=C(C=C(NC(N(CC)CC)=O)C=C1)C(=O)C |
| SPLASH |
splash10-0udr-9440000000-896285c1407e356073a2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-[3-Acetyl-4-[2-hydroxy-3-(tert-butylamino)propoxy]phenyl]-1,1-diethylurea |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000491 |
