Cell Culture Ontology

Last uploaded: July 23, 2014
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Id http://purl.obolibrary.org/obo/CHEBI_119486
http://purl.obolibrary.org/obo/CHEBI_119486
Preferred Name

efavirenz
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.
Synonyms
(S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE
(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Efavirenz
Type http://www.w3.org/2002/07/owl#Class

All Properties

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.
preferred label
efavirenz
label
efavirenz
prefLabel
efavirenz
database_cross_reference
Beilstein:7387333
PDBeChem:EFZ
LINCS:LSM-5526
KEGG:D00896
PMID:25017682
DrugBank:DB00625
KEGG:C08088
PMID:10576692
HMDB:HMDB0014763
Patent:EP582455
CAS:154598-52-4
Drug_Central:989
PMID:10673109
Wikipedia:Efavirenz
Patent:US5519021
Reaxys:7387333
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notation
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
has_related_synonym
(S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE
id
CHEBI:119486
charge
0
has_obo_namespace
chebi_ontology
formula
C14H9ClF3NO2
subClassOf
inchikey
XPOQHMRABVBWPR-ZDUSSCGKSA-N
mass
315.67500
monoisotopicmass
315.02739
has_alternative_id
CHEBI:190461
CHEBI:47396
CHEBI:4760
type
smiles
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
has_exact_synonym
(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Efavirenz
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