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CHEBI:177473 - Viminol hydroxybenzoate

ChEBI IDCHEBI:177473
ChEBI NameViminol hydroxybenzoate
Stars
Last Modified27 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35ClN2O3
Net Charge0
Average Mass483.052
Monoisotopic Mass482.23362
SMILESCCC(C)N(CC(OC(=O)c1ccc(O)cc1)c1cccn1Cc1ccccc1Cl)C(C)CC
InChIInChI=1S/C28H35ClN2O3/c1-5-20(3)31(21(4)6-2)19-27(34-28(33)22-13-15-24(32)16-14-22)26-12-9-17-30(26)18-23-10-7-8-11-25(23)29/h7-17,20-21,27,32H,5-6,18-19H2,1-4H3
InChIKeyHZTHPJGBPGLHIS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Viminol hydroxybenzoate (CHEBI:177473) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
[1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethyl] 4-hydroxybenzoate
Manual XrefsDatabases
154273ChemSpider
D08674KEGG DRUG
Registry NumbersSources
CAS:21466-60-4ChemIDplus