General
Preferred name
BUTYLSCOPOLAMINE
Synonyms
(-)-Scopolamine butylbromide ()
BUTYLSCOPOLAMINE BROMIDE ()
Hyoscine butylbromide ()
scopolamine butylbromide ()
Butylscopolammonium (n-) bromide ()
Scopolamine n-butylbromide ()
Scopolamine Butylbromide,(-)-Scopolamine butylbromide, Hyoscine butylbromide ()
N-butylscopolammonium ()
N-butylscopolammonium cation ()
N-butylscopolammonium ion ()
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 ()
Buscapina ()
Buscopan ()
Scobutil ()
Scobron ()
Scopolamine N-butyl (bromide) ()
P&D ID
PD013105
CAS
7182-53-8
149-64-4
Tags
available
drug candidate
drug
First approval
1951
Drug Status
vet_approved
approved
investigational
Max Phase
3.0
Drug indication
bile duct disorder
Gastrointestinal disease
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
11
Cayman Chemical Bioactives
27223
ChEMBL Drugs
CHEMBL1618102
CHEMBL1256901
DrugBank
DB09300
DrugBank Approved Drugs
DB09300
DrugCentral
458
DrugCentral Approved Drugs
458
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
butylscopolamine-bromide
TargetMol Bioactive Compound Library
T2183
External IDs
52
Properties
(calculated by RDKit )
Molecular Weight
360.22
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
1
cLogP
2.23
TPSA
59.06
Fraction CSP3
0.67
Chiral centers
7.0
Largest ring
6.0
QED
0.46
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