General
Preferred name
DIPHENYLAMINE
Synonyms
Diphenylamine Hydrochloride ()
N-Phenylaniline hydrochloride ()
N-Phenylbenzenamine, Anilinobenzene, C.I. 10355 ()
P&D ID
PD085463
CAS
122-39-4
537-67-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Diphenylamine hydrochloride (N-Phenylaniline hydrochloride) is an antihyperglycemic agent with oral activity and a common structure in non-steroidal anti-inflammatory drugs (NSAIDs) that uncouples oxidative phosphorylation in mitochondria, leading to a decrease in hepatic cell ATP levels and causing liver cell damage. Diphenylamine hydrochloride is also an industrial antioxidant, a dyeing mordant, and is used in agriculture as an antifungal and antibacterial agent[1][2][3][4].
PRICE 29
DESCRIPTION Diphenylamine exhibits antioxidant activities. It is used as an anti-scald agent. It inhibits Prostaglandin G/H synthase 2, IC50 = 100 nM. (Enamine Bioactive Compounds)
DESCRIPTION Diphenylamine hydrochloride, isolated from coriander, has antioxidant properties. In agriculture, it can be used as a fungicide and antibacterial agent; in industry, it can be used as an antioxidant and dye mordant. (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
169.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
3.43
TPSA
12.03
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Fungal
OXPHOS
Pathway
Anti-infection
Source data