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
- External Links
- PubChem Compound
- 9279
- ChemSpider
- 8922
- BindingDB
- 50238663
- ChEBI
- 8482
- ChEMBL
- CHEMBL1240
- Wikipedia
- Propantheline_bromide
- Predicted Properties
Property Value Source Water Solubility 6.43e-05 mg/mL ALOGPS logP 2.29 ALOGPS logP 0.36 Chemaxon logS -6.8 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 119.25 m3·mol-1 Chemaxon Polarizability 42.14 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon