Celiprolol

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Systematic / IUPAC Name: 3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea

ID: Reference1967

Other Names: Celectol;
3-[3-Acetyl-4-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)phenyl]-1,1-diethylurea

Formula: C20H33N3O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Celiprolol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 143
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 10:39:46 AM
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Identificators

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)
InChI Key JOATXPAWOHTVSZ-UHFFFAOYSA-N
Canonical SMILES CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C
CAS 56980939
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Other Names Celectol;
3-[3-Acetyl-4-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)phenyl]-1,1-diethylurea

In Other Databases

KEGG D07660
Wikipedia Celiprolol; Celiprolol (DE)
ChemIDPlus 056980939
ChemSpider 2563
ChEMBL CHEMBL27810
PubChem 2663