Propantheline bromideProduct ingredient for Propantheline

Name
Propantheline bromide
Drug Entry
Propantheline

A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking.

Accession Number
DBSALT000225
Structure
Synonyms
Not Available
UNII
UX9Z118X9F
CAS Number
50-34-0
Weight
Average: 448.393
Monoisotopic: 447.140906478
Chemical Formula
C23H30BrNO3
InChI Key
XLBIBBZXLMYSFF-UHFFFAOYSA-M
InChI
InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1
IUPAC Name
methylbis(propan-2-yl)[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
SMILES
[Br-].CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C
PubChem Compound
9279
ChemSpider
8922
BindingDB
50238663
ChEBI
8482
ChEMBL
CHEMBL1240
Wikipedia
Propantheline_bromide
Predicted Properties
PropertyValueSource
Water Solubility6.43e-05 mg/mLALOGPS
logP2.29ALOGPS
logP0.36Chemaxon
logS-6.8ALOGPS
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
Refractivity119.25 m3·mol-1Chemaxon
Polarizability42.14 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon