Cimetropium bromideProduct ingredient for Cimetropium
- Name
- Cimetropium bromide
- Drug Entry
- Cimetropium
Cimetropium is a semi-synthetic belladonna alkaloid and derivative of scopolamine. It is a potent antimuscarinic and an effective antispasmodic drug. It is also endowed of a direct myolitic action which partially accounts for its antispasmodic activity. It has never been approved for use in the U.S. or Canada.
- Accession Number
- DBSALT001931
- Structure
Structure for Cimetropium bromide (DBSALT001931)
- Synonyms
- Alginor
- External IDs
- DA-3177
- UNII
- 0C7M5WE60Q
- CAS Number
- 51598-60-8
- Weight
- Average: 438.362
Monoisotopic: 437.120171 - Chemical Formula
- C21H28BrNO4
- InChI Key
- WDURTRGFUGAJHA-GSWUYBTGSA-M
- InChI
- InChI=1S/C21H28NO4.BrH/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14;/h2-6,13,15-20,23H,7-12H2,1H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m1./s1
- IUPAC Name
- (1R,2R,4S,5S,7S)-9-(cyclopropylmethyl)-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-].[H][C@](CO)(C(=O)O[C@@]1([H])C[C@@]2([H])[C@]3([H])O[C@]3([H])[C@@]([H])(C1)[N+]2(C)CC1CC1)C1=CC=CC=C1
- External Links
- ChemSpider
- 16735742
- ChEMBL
- CHEMBL2105977
- Wikipedia
- Cimetropium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.0014 mg/mL ALOGPS logP -0.91 ALOGPS logP -2.5 Chemaxon logS -5.5 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 7 Chemaxon Refractivity 107.58 m3·mol-1 Chemaxon Polarizability 38.5 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon