Butylscopolamine bromideProduct ingredient forButylscopolamine
- Name
- Butylscopolamine bromide
- Drug Entry
-
Butylscopolamine
Butylscopolamine is a peripherally acting antimuscarinic, anticholinergic agent. It is used to treat pain and discomfort caused by abdominal cramps, menstrual cramps, or other spasmodic activity in the digestive system. It is also effective at preventing bladder spasms. It is not a pain medication in the normal sense, since it does not directly affect pain, but rather works to prevent painful cramps and spasms from occurring. It is on the WHO Model List of Essential Medicines, the most important medications needed in a basic health system.
- Accession Number
- DBSALT002585
- Structure
-
Structure for Butylscopolamine bromide (DBSALT002585)
- Synonyms
- Hyoscine butylbromide/Hyoscine N-butylbromide/N-butylscopolammonium bromide/Scopolamine bromobutylate/Scopolamine butylbromide/Scopolamine N-butylbromide
- UNII
- 0GH9JX37C8
- CAS Number
- 149-64-4
- Weight
-
Average: 440.371
Monoisotopic: 439.1358211 - Chemical Formula
- C21H30BrNO4
- InChI Key
- HOZOZZFCZRXYEK-GSWUYBTGSA-M
- InChI
-
InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m1./s1
- IUPAC Name
-
(1R,2R,4S,5S,7R)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
- SMILES
-
[Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
- External Links
-
- ChemSpider
- 16736107
- ChEBI
- 32123
- ChEMBL
- CHEMBL1256901
- Predicted Properties
-
Property Value Source Water Solubility 0.00166 mg/mL ALOGPS logP -0.6 ALOGPS logP -1.9 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 15.15 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59.06 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 109.51 m3·mol-1 Chemaxon Polarizability 39.92 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon
