General
Preferred name
CHLOROBUTANOL
Synonyms
Clorbutol ()
Chlorbutol ()
Chloreton ()
Chloretone ()
Chlortran ()
YM-57158 ()
Chlorbutol, Chloreton, Chloretone, Chlortran| ()
Chlorobutanol (hemihydrate) ()
CHLORBUTANOL ()
Chlorbutol, Chloreton, Chloretone, Chlortran ()
NSC-44794 ()
Anhydrous chlorobutanol ()
Chlorobutanolum ()
Chlorobutanol, anhydrous ()
Trichlorisobutylalcohol ()
P&D ID
PD001119
CAS
57-15-8
28471-22-9
6001-64-5
Tags
natural product
drug
available
Approved by
FDA
Drug Status
investigational
approved
vet_approved
Max Phase
Phase 4
Drug indication
Pharmaceutic Aid (antimicrobial agent)
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
16
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NPC Screening Collection
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
175.96
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
2.13
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Target
antibiotic
Bacterial
Fungal
MOA
Antibiotic
Indication
anesthetic, sedative
Source data
