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CHEBI:45666 - SDZ 35-682

ChEBI IDCHEBI:45666
ChEBI NameSDZ 35-682
Stars
DefinitionAn aromatic ether that consists of glycerol in which the hydrogen of the 1-hydroxy group is substituted by a 4-cyclohexylphenyl moiety and the 3-hydroxy function is substituted by a 4-(pyridin-2-yl)piperazin-1-yl group.
Last Modified15 August 2019
DownloadsMolfile
FormulaC24H33N3O2
Net Charge0
Average Mass395.547
Monoisotopic Mass395.25728
SMILESOC(COc1ccc(C2CCCCC2)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2
InChIKeyBZJHCQBNFUNZPJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
SDZ 35-682 (CHEBI:45666) has functional parent glycerol (CHEBI:17754)
SDZ 35-682 (CHEBI:45666) has role antiviral agent (CHEBI:22587)
SDZ 35-682 (CHEBI:45666) is a N-alkylpiperazine (CHEBI:46845)
SDZ 35-682 (CHEBI:45666) is a N-arylpiperazine (CHEBI:46848)
SDZ 35-682 (CHEBI:45666) is a aminopyridine (CHEBI:38207)
SDZ 35-682 (CHEBI:45666) is a aromatic ether (CHEBI:35618)
IUPAC Name 
1-(4-cyclohexylphenoxy)-3-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-ol
Synonym  Source
1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINEPDBeChem
Manual XrefsDatabases
SDZPDBeChem
Citations