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).

See full entry for Methantheline

Accession Number

DBSALT000228

Structure

Similar Structures

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

External Links

PubChem Compound: 5883
ChemSpider: 5672
ChEBI: 6818
ChEMBL: CHEMBL1200988
Wikipedia: Methantheline

Predicted Properties

Property	Value	Source
Water Solubility	0.000116 mg/mL	ALOGPS
logP	0.92	ALOGPS
logP	-0.47	Chemaxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	17.63	Chemaxon
pKa (Strongest Basic)	-3.7	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	1	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	35.53 Å²	Chemaxon
Rotatable Bond Count	7	Chemaxon
Refractivity	110.42 m³·mol^-1	Chemaxon
Polarizability	38.61 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	Yes	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Methantheline bromideProduct ingredient for Methantheline

Structure for Methantheline bromide (DBSALT000228)