Timepidium bromideProduct ingredient for Timepidium
- Name
- Timepidium bromide
- Drug Entry
- Timepidium
- Accession Number
- DBSALT002528
- Structure
Structure for Timepidium bromide (DBSALT002528)
- Synonyms
- Timepidium bromide anhydrous
- UNII
- 8R9E4766V4
- CAS Number
- 35035-05-3
- Weight
- Average: 400.39
Monoisotopic: 399.03262 - Chemical Formula
- C17H22BrNOS2
- InChI Key
- QTSXMEPZSHLZFF-UHFFFAOYSA-M
- InChI
- InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1
- IUPAC Name
- 3-[bis(thiophen-2-yl)methylidene]-5-methoxy-1,1-dimethylpiperidin-1-ium bromide
- SMILES
- [Br-].COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1
- External Links
- KEGG Compound
- C12768
- ChemSpider
- 140841
- ChEBI
- 32226
- ChEMBL
- CHEMBL2107574
- Wikipedia
- Timepidium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.00963 mg/mL ALOGPS logP -0.22 ALOGPS logP -0.6 Chemaxon logS -4.6 ALOGPS pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.23 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 111.43 m3·mol-1 Chemaxon Polarizability 35.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon