General
Preferred name
BENZODODECINIUM
Synonyms
Benzododecinium chloride ()
Lauralkonium chloride ()
NSC 85508 ()
NSC85508 ()
NSC-85508 ()
BENZALKONIUM ()
Benzyldodecyldimethylammonium (chloride dihydrate) ()
Benzyldodecyldimethylammonium Chloride Dihydrate ()
Benzododecinium cation ()
Benzododecinium ion ()
P&D ID
PD014561
CAS
139-07-1
107397-84-2
8001-54-5
61789-71-7
5423-15-4
10328-35-5
5459-84-7
147228-80-6
Tags
available
drug candidate
drug
Approved by
FDA
Drug Status
experimental
approved
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
304.3
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
13
Ring Count
1
Aromatic Ring Count
1
cLogP
6.18
TPSA
0.0
Fraction CSP3
0.71
Chiral centers
0.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data
