RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136455 | |
|---|---|---|
| RefMet name | Albendazole | |
| Systematic name | methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 265.088497 (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 | C12H15N3O2S | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 42859 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) | |
| InChIKey | HXHWSAZORRCQMX-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Benzimidazolylcarbamic acid esters | |
| Sub Class | 2-Benzimidazolylcarbamic acid esters | |
| Distribution of Albendazole 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 Albendazole | |
| External Links | ||
| Pubchem CID | 2082 | |
| ChEBI ID | 16664 | |
| KEGG ID | C01779 | |
| HMDB ID | HMDB0014659 | |
| Chemspider ID | 1998 | |
| MetaCyc ID | ALBENDAZOLE | |
| EPA CompTox | DTXCID202563 | |
| Spectral data for Albendazole standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
