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CHEBI:174697 - 3-Hydroxynevirapine

Default Structure
ChEBI IDCHEBI:174697
ChEBI Name3-Hydroxynevirapine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14N4O2
Net Charge0
Average Mass282.303
Monoisotopic Mass282.11168
SMILESCc1c(O)cnc2c1NC(=O)c1cccnc1N2C1CC1
InChIInChI=1S/C15H14N4O2/c1-8-11(20)7-17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9,20H,4-5H2,1H3,(H,18,21)
InChIKeyDANIONWINZEYME-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxynevirapine (CHEBI:174697) is a aromatic amine (CHEBI:33860)
3-Hydroxynevirapine (CHEBI:174697) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2-cyclopropyl-6-hydroxy-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Manual XrefsDatabases
9154108ChemSpider
HMDB0013914HMDB