CHEBI:177473 - Viminol hydroxybenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Viminol hydroxybenzoate
ChEBI ID CHEBI:177473
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H35ClN2O3
Net Charge 0
Average Mass 483.050
Monoisotopic Mass 482.23362
InChI InChI=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
InChIKey HZTHPJGBPGLHIS-UHFFFAOYSA-N
SMILES ClC=1C(CN2C(C(OC(=O)C3=CC=C(O)C=C3)CN(C(CC)C)C(CC)C)=CC=C2)=CC=CC1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
154273 ChemSpider
D08674 KEGG DRUG
View more database links
Registry Number Type Source
21466-60-4 CAS Registry Number ChemIDplus
Last Modified
27 September 2021