General
Preferred name
BUTYLPARABEN
Synonyms
BUTYL PARABEN ()
n-butyl-paraben ()
Butyl-p-hydroxybenzoate ()
Butyl 4-hydroxybenzoate ()
Butyl parahydroxybenzoate ()
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate ()
Butyl 4-hydroxybenzoate ()
Butyl P-Hydroxybenzoate ()
FEMA NO. 2203 ()
Butyl p-hydroxy benzoate ()
NSC-13164 ()
P&D ID
PD000233
CAS
94-26-8
8068-49-3
Tags
available
natural product
drug
Drug Status
approved
experimental
Drug indication
Pharmaceutic Aid (antifungal agent)
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
0
Organisms
1
Compound Sets
15
Cayman Chemical Bioactives
36797
ChEMBL Drugs
CHEMBL459008
Drug Repurposing Hub
DrugBank
DB14084
DrugBank Approved Drugs
DB14084
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
HY-B1431
NCATS Inxight Approved Drugs
3QPI1U3FV8
NPC Screening Collection
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FIYE3G3USGC
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
butylparaben
TargetMol Bioactive Compound Library
T0927
The Spectrum Collection
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
194.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
2.35
TPSA
46.53
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
antibiotic
Bacterial
DNA/RNA Synthesis
Endogenous Metabolite
Fungal
MOA
Antibiotic
DNA synthesis inhibitor
Source data