loading...| Preferred Name |
secnidazole |
|
| Synonyms |
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol secnidazole secnidazolum secnidazol |
|
| Definitions |
A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_140628 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:29327947 PMID:28697102 Drug_Central:2427 Patent:US4920141 PMID:28967984 Patent:US4925951 Reaxys:612717 Patent:US5549911 Wikipedia:Secnidazole PMID:28337876 PMID:29635264 PMID:29684664 Patent:US4957918 Patent:US4925952 PMID:28372197 CAS:3366-95-8 KEGG:D07353 PMID:29323627 LINCS:LSM-5131 |
|
| definition |
A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. |
|
| formula |
C7H11N3O3 |
|
| has role | ||
| has_exact_synonym |
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
secnidazole secnidazolum secnidazol |
|
| has_RxCUI |
36314 |
|
| id |
CHEBI:140628 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3 |
|
| inchikey |
KPQZUUQMTUIKBP-UHFFFAOYSA-N |
|
| label |
secnidazole |
|
| mass |
185.181 |
|
| monoisotopicmass |
185.08004 |
|
| notation |
CHEBI:140628 |
|
| prefLabel |
secnidazole |
|
| smiles |
C=1(N(C(=NC1)C)CC(C)O)[N+]([O-])=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_24780 |