Methscopolamine nitrateProduct ingredient for Methscopolamine
- Name
- Methscopolamine nitrate
- Drug Entry
- Methscopolamine
Methscopolamine is a quaternary ammonium derivative of scopolamine and antagonist at muscarininc (mACh) receptors. Methscopolamine bromide is the most common form of the active ingredient in oral pharmaceutical products. The oral tablets are used as an adjunct therapy for the treatment of peptic ulcer and is shown to be effective in decreasing the rate of recurrence of peptic ulcers as well as preventing complications.
- Accession Number
- DBSALT001587
- Structure
Structure for Methscopolamine nitrate (DBSALT001587)
- Synonyms
- Not Available
- UNII
- K0813KQM3V
- CAS Number
- 6106-46-3
- Weight
- Average: 380.397
Monoisotopic: 380.158351121 - Chemical Formula
- C18H24N2O7
- InChI Key
- BSQIVYOSLFLSGE-RAFJPFSSSA-N
- InChI
- InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12-,13-,14-,15+,16-,17+;/m1./s1
- IUPAC Name
- (1R,2R,4S,5S,7S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium nitrate
- SMILES
- [O-][N+]([O-])=O.C[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
- 25948752
- ChEMBL
- CHEMBL1506225
- Predicted Properties
Property Value Source Water Solubility 0.0331 mg/mL ALOGPS logP -1.8 ALOGPS logP -3.3 Chemaxon logS -4.1 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 5 Chemaxon Refractivity 95.63 m3·mol-1 Chemaxon Polarizability 33.35 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 No Chemaxon