loading...| Preferred Name |
efavirenz |
|
| Synonyms |
Efavirenz (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE (S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one (S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one |
|
| Definitions |
1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_119486 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:154598-52-4 KEGG:D00896 PMID:10576692 Patent:US5519021 PMID:25017682 DrugBank:DB00625 Reaxys:7387333 HMDB:HMDB0014763 Drug_Central:989 Patent:EP582455 PDBeChem:EFZ LINCS:LSM-5526 KEGG:C08088 PMID:10673109 Beilstein:7387333 Wikipedia:Efavirenz |
|
| definition |
1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. |
|
| formula |
C14H9ClF3NO2 |
|
| has role | ||
| has_alternative_id |
CHEBI:190461 CHEBI:47396 CHEBI:4760 |
|
| has_exact_synonym |
Efavirenz (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE (S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one (S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one |
|
| id |
CHEBI:119486 |
|
| in_subset | ||
| inchi |
InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 |
|
| inchikey |
XPOQHMRABVBWPR-ZDUSSCGKSA-N |
|
| label |
efavirenz |
|
| mass |
315.67500 |
|
| monoisotopicmass |
315.02739 |
|
| notation |
CHEBI:119486 |
|
| prefLabel |
efavirenz |
|
| smiles |
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_73474 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_73474 |