PIPERONYL BUTOXIDE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LWK91TU9AH

Structure
InChI Key FIPWRIJSWJWJAI-UHFFFAOYSA-N
Smile CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30O5
Molecular Weight 338.44
AlogP 3.72
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 13.0
Polar Surface Area 46.15
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 inhibitor PubMed

Cross References

Resources Reference
ChEBI 32687
ChEMBL CHEMBL1201131
DrugBank DB09350
DrugCentral 4276
EPA CompTox DTXSID1021166
FDA SRS LWK91TU9AH
KEGG C18880
PubChem 5794
SureChEMBL SCHEMBL5490
ZINC ZINC000003875342
CONTENTS