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CHEBI:135687 - pifarnine

ChEBI IDCHEBI:135687
ChEBI Namepifarnine
Stars
DefinitionA member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a [4-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)piperazin-1-yl]methyl group at position 5. It is an anti-ulcer agent.
Last Modified22 October 2020
DownloadsMolfile
FormulaC27H40N2O2
Net Charge0
Average Mass424.629
Monoisotopic Mass424.30898
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H40N2O2/c1-22(2)7-5-8-23(3)9-6-10-24(4)13-14-28-15-17-29(18-16-28)20-25-11-12-26-27(19-25)31-21-30-26/h7,9,11-13,19H,5-6,8,10,14-18,20-21H2,1-4H3
InChIKeyDVJCPEWCHQLAEH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
pifarnine (CHEBI:135687) has role anti-ulcer drug (CHEBI:49201)
pifarnine (CHEBI:135687) is a N-alkylpiperazine (CHEBI:46845)
pifarnine (CHEBI:135687) is a benzodioxoles (CHEBI:38298)
pifarnine (CHEBI:135687) is a olefinic compound (CHEBI:78840)
IUPAC Name 
1-(1,3-benzodioxol-5-ylmethyl)-4-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)piperazine
INNs  Source
pifarnineWHO MedNet
pifarninumWHO MedNet
pifarninaWHO MedNet
pifarnineWHO MedNet
Synonyms  Source
U-27DrugCentral
U27ChemIDplus
1-(1,3-benzodioxol-5-ylmethyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)piperazineChemIDplus
pifazineChemIDplus
Brand Name  Source
PifazinDrugCentral
Manual XrefsDatabases
3470DrugCentral
D05477KEGG DRUG
Registry NumbersSources
CAS:56208-01-6ChemIDplus
Citations