General
Preferred name
BARBITAL
Synonyms
BARBITAL SODIUM ()
Diemal ()
Diethylbarbituric Acid ()
NSC-31352 ()
Barbitone ()
Barbital sodium salt ()
Barbital, Soluble ()
Barbitone Sodium ()
Sodium barbital ()
Barbital (CRM) ()
P&D ID
PD000426
CAS
144-02-5
57-44-3
Tags
natural product
drug
available
Drug indication
Insomnia
Drug Status
illicit
approved
Max Phase
Phase 4
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
11
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
NPC Screening Collection
ReFrame library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
184.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
0
cLogP
0.16
TPSA
75.27
Fraction CSP3
0.62
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Therapeutic Class
Hypnotics and Sedatives
Source data
