RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136282 | |
|---|---|---|
| RefMet name | Loperamide | |
| Systematic name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 476.223056 (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 | C29H33ClN2O2 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38692 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3 -16,34H,17-22H2,1-2H3 | |
| InChIKey | RDOIQAHITMMDAJ-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CN(C)C(=O)C(CCN1CCC(CC1)(c1ccc(cc1)Cl)O)(c1ccccc1)c1ccccc1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Benzenes | |
| Sub Class | Diphenylmethanes | |
| Distribution of Loperamide 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 Loperamide | |
| External Links | ||
| Pubchem CID | 3955 | |
| ChEBI ID | 6532 | |
| KEGG ID | C07080 | |
| HMDB ID | HMDB0004999 | |
| Chemspider ID | 3818 | |
| EPA CompTox | DTXCID4025165 | |
| Spectral data for Loperamide standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
