RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136518 | |
|---|---|---|
| RefMet name | Alprenolol | |
| Systematic name | {2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 249.172879 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C15H23NO2 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 43142 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | |
| InChIKey | PAZJSJFMUHDSTF-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C=CCc1ccccc1OCC(CNC(C)C)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Phenylpropenes | |
| Sub Class | Phenylpropenes | |
| Distribution of Alprenolol in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Alprenolol | |
| External Links | ||
| Pubchem CID | 2119 | |
| ChEBI ID | 51211 | |
| HMDB ID | HMDB0015004 | |
| Chemspider ID | 2035 | |
| EPA CompTox | DTXCID8025127 | |
| Spectral data for Alprenolol standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
