CHEBI:186525 - hydroxynefazodone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name hydroxynefazodone
ChEBI ID CHEBI:186525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32ClN5O3
Net Charge 0
Average Mass 486.010
Monoisotopic Mass 485.21937
InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3
InChIKey VKGQYGXMUUBRBD-UHFFFAOYSA-N
SMILES ClC=1C=C(N2CCN(CC2)CCCN3N=C(N(C3=O)CCOC4=CC=CC=C4)C(O)C)C=CC1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing hydroxynefazodone (CHEBI:186525) is a piperazines (CHEBI:26144)
IUPAC Name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
Manual Xrefs Databases
9929840 ChemSpider
HMDB0061040 HMDB
View more database links
Registry Number Type Source
98159-82-1 CAS Registry Number ChemIDplus