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CHEBI:145206 - 12-hydroxynevirapine

ChEBI IDCHEBI:145206
ChEBI Name12-hydroxynevirapine
Stars
DefinitionA dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine.
Last Modified12 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC15H14N4O2
Net Charge0
Average Mass282.303
Monoisotopic Mass282.11168
SMILESO=C1Nc2c(CO)ccnc2N(C2CC2)c2ncccc21
InChIInChI=1S/C15H14N4O2/c20-8-9-5-7-17-14-12(9)18-15(21)11-2-1-6-16-13(11)19(14)10-3-4-10/h1-2,5-7,10,20H,3-4,8H2,(H,18,21)
InChIKeySEBABOMFNCVZGF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO_0000131) PubMed (23459477)
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
12-hydroxynevirapine (CHEBI:145206) has functional parent nevirapine (CHEBI:63613)
12-hydroxynevirapine (CHEBI:145206) has role drug metabolite (CHEBI:49103)
12-hydroxynevirapine (CHEBI:145206) is a aromatic primary alcohol (CHEBI:33857)
12-hydroxynevirapine (CHEBI:145206) is a cyclopropanes (CHEBI:51454)
12-hydroxynevirapine (CHEBI:145206) is a dipyridodiazepine (CHEBI:63667)
IUPAC Name 
11-cyclopropyl-4-(hydroxymethyl)-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Synonyms  Source
12-OH-NVPChEBI
12-hydroxy-nevirapineChEBI
12-hydroxy-NVPChEBI
11-cyclopropyl-4-(hydroxymethyl)-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-oneChEBI
N11-cyclopropyl-4-hydroxymethyl-5,11-dihydro-6H-dipyrido(3,2-b:2,3-e)(1,4)diazepin-6-oneChemIDplus
Manual XrefsDatabases
HMDB0013911HMDB
Registry NumbersSources
CAS:133627-24-4ChemIDplus
Citations