loading...| Preferred Name |
atovaquone |
| Synonyms |
2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone atovaquone Wellvone Mepron Acuvel 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone |
| Definitions |
A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_575568 |
| charge |
0 |
| database_cross_reference |
PMID:21735454 PMID:14727190 Beilstein:8076827 PMID:12791689 Drug_Central:258 PMID:15718226 Patent:US5053432 PMID:15044733 PMID:11956677 PMID:10658902 KEGG:D00236 Wikipedia:Atovaquone Patent:EP123238 PMID:23292347 CAS:95233-18-4 DrugBank:DB01117 |
| definition |
A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. |
| formula |
C22H19ClO3 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_77103 http://purl.obolibrary.org/obo/CHEBI_38503 http://purl.obolibrary.org/obo/CHEBI_38068 |
| has_alternative_id |
CHEBI:2912 |
| has_exact_synonym |
2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
atovaquone Wellvone Mepron Acuvel 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone |
| id |
CHEBI:575568 |
| in_subset | |
| inchi |
InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15- |
| inchikey |
KUCQYCKVKVOKAY-CTYIDZIISA-N |
| label |
atovaquone |
| mass |
366.83700 |
| monoisotopicmass |
366.10227 |
| notation |
CHEBI:575568 |
| prefLabel |
atovaquone |
| smiles |
OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |
| treeView | |
| subClassOf |