General
Preferred name
BUTANE
Synonyms
E-943 ()
INS-943 ()
N-butane ()
Hc 600 (hydrocarbon) ()
INS NO.943 ()
R 600 ()
HC 600 ()
E943a ()
R 600 (alkane) ()
P&D ID
PD120066
CAS
68475-59-2
68476-42-6
106-97-8
68514-31-8
Tags
available
drug candidate
Drug Status
investigational
Max Phase
1.0
Drug indication
Aerosol Propellant
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
1
ChEMBL Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
58.08
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
1.81
TPSA
0.0
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
