loading...| Preferred Name |
mebendazole |
|
| Synonyms |
methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate Mebendazole (5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester MBDZ Vermox |
|
| Definitions |
A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6704 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:759809 Beilstein:759809 CAS:31431-39-7 PMID:6126101 LINCS:LSM-3749 DrugBank:DB00643 Wikipedia:Mebendazole KEGG:D00368 Drug_Central:1641 |
|
| definition |
A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. |
|
| formula |
C16H13N3O3 |
|
| has_exact_synonym |
methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate Mebendazole |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| has_related_synonym |
(5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester MBDZ Vermox |
|
| id |
CHEBI:6704 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) |
|
| inchikey |
OPXLLQIJSORQAM-UHFFFAOYSA-N |
|
| label |
mebendazole |
|
| mass |
295.29284 |
|
| monoisotopicmass |
295.09569 |
|
| notation |
CHEBI:6704 |
|
| prefLabel |
mebendazole |
|
| RO_0000087 | ||
| smiles |
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_76224 |