General
Preferred name
BETHANECHOL
Synonyms
BETHANECHOL CHLORIDE ()
Carbamyl-¦Â-methylcholine chloride ()
Carbamyl-¦Â-methylcholine ()
Carbamyl-??-methylcholine chloride ()
Myocholine ()
(??)-Bethanechol ()
Urecholine ()
(¡À)-Bethanechol ()
Carbamyl-??methylcholine chloride ()
Carbamyl-??methylcholine ()
Myocholine(¡À)-Bethanechol ()
Bethanechol (chloride) ()
Carbamyl-β-methylcholine chloride ()
Myocholine,Urecholine ()
Carbamylmethylcholine Chloride ()
Duvoid ()
NSC-30783 ()
Myotonine ()
Myotonachol ()
Bethanechol-d6 (chloride) ()
P&D ID
PD009590
CAS
590-63-6
674-38-4
21293-39-0
Tags
available
drug
Approved by
FDA
First approval
1948
Drug Status
approved
Drug indication
Cholinergic
Urinary retention
Max Phase
Phase 4
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 Bethanechol is structurally and pharmacologically related to .
Marketed formulations may contain bethanechol chloride (PubChem CID 11548). (GtoPdb)
DESCRIPTION Muscarinic acetylcholine receptor agonist; resistant to acetylcholinesterase and non-specific cholinesterases (LOPAC library)
DESCRIPTION A selective muscarinic receptor stimulant, used to treat cerebral palsy. (BOC Sciences Bioactive Compounds)
Compound Sets
29
AdooQ Bioactive Compound Library
A10180
BOC Sciences Bioactive Compounds
bethanechol-chloride-cas-590-63-6-345824
Cayman Chemical Bioactives
23830
33299
ChEMBL Approved Drugs
CHEMBL1768
CHEMBL1482
ChEMBL Drugs
CHEMBL1768
CHEMBL1482
Concise Guide to Pharmacology 2017/18
297
Concise Guide to Pharmacology 2019/20
297
Concise Guide to Pharmacology 2021/22
297
Concise Guide to Pharmacology 2023/24
297
DrugBank
DB01019
DrugBank Approved Drugs
DB01019
DrugCentral
358
DrugCentral Approved Drugs
358
DrugMAP
DMCLHO0
DrugMAP Approved Drugs
DMCLHO0
DrugMatrix
Guide to Pharmacology
297
Ki Database
Bethanechol
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1482
MedChem Express Bioactive Compound Library
HY-B0406A
NCATS Inxight Approved Drugs
004F72P8F4
NIH Clinical Collections (NCC)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride)
TargetMol Bioactive Compound Library
T3126
The Spectrum Collection
External IDs
53
Properties
(calculated by RDKit )
Molecular Weight
161.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
0.18
TPSA
52.32
Fraction CSP3
0.86
Chiral centers
1.0
Largest ring
0.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Muscarinic
Target
mAChR
muscarinic receptor
AChR
Pathway
Neuronal Signaling
GPCR/G protein
Neuroscience
Therapeutic Class
Parasympathomimetics
Solubility
Soluble in Water, Ethanol
Source data