General
Preferred name
BUTYLSCOPOLAMINE BROMIDE
Synonyms
(-)-Scopolamine butylbromide ()
Hyoscine butylbromide ()
Butylscopolammonium (n-) bromide ()
Scopolamine Butylbromide,(-)-Scopolamine butylbromide, Hyoscine butylbromide ()
scopolamine butylbromide ()
Buscolamin ()
Donopon ()
Scopolamine bromobutylate ()
Stibron ()
Buscapine ()
Amisepan ()
Joscine ()
Scopolan ()
Buscol ()
Tirantil ()
Scobutyl ()
Butylmin ()
Buscolysin ()
N-butylscopolammonium bromide ()
Sporamin ()
Scoburen ()
Hyoscine-n-butyl bromide ()
Monospan ()
Scopolamine butylbromide ()
Scobro ()
Sparicon ()
Scopolamine n-butylbromide ()
Buscapina ()
Buscopan ()
Scobutil ()
Scobron ()
Scopolamine N-butyl (bromide) ()
P&D ID
PD009263
CAS
149-64-4
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
Drug indication
bile duct disorder
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 Scopolamine butylbromide ((-)-Scopolamine butylbromide) is a competitive antagonist of mAChR (IC50: 55.3 ± 4.3 nM). (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
27223
ChEMBL Drugs
CHEMBL1256901
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
butylscopolamine-bromide
TargetMol Bioactive Compound Library
T2183
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
439.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
1
cLogP
-0.76
TPSA
59.06
Fraction CSP3
0.67
Chiral centers
7.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
mAChR
AChR
MOA
AChR antagonist
Pathway
Neuroscience
Source data