Methantheline bromideProduct ingredient for Methantheline

Name
Methantheline bromide
Drug Entry
Methantheline

Methantheline is a synthetic antispasmodic. Antispasmodics are used to relieve cramps or spasms of the stomach, intestines, and bladder. Methantheline is used to treat intestine or stomach ulcers (peptic ulcer disease), intestine problems (irritable bowel syndrome), pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, or urinary problems (reflex neurogenic bladder in children).

Accession Number
DBSALT000228
Structure
Synonyms
Not Available
UNII
090519SAPF
CAS Number
53-46-3
Weight
Average: 420.34
Monoisotopic: 419.10960635
Chemical Formula
C21H26BrNO3
InChI Key
PQMWYJDJHJQZDE-UHFFFAOYSA-M
InChI
InChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
IUPAC Name
diethyl(methyl)[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
SMILES
[Br-].CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12
PubChem Compound
5883
ChemSpider
5672
ChEBI
6818
ChEMBL
CHEMBL1200988
Wikipedia
Methantheline
Predicted Properties
PropertyValueSource
Water Solubility0.000116 mg/mLALOGPS
logP0.92ALOGPS
logP-0.47Chemaxon
logS-6.6ALOGPS
pKa (Strongest Acidic)17.63Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area35.53 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity110.42 m3·mol-1Chemaxon
Polarizability38.61 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon