Bencyclane fumarateProduct ingredient for Bencyclane
- Name
- Bencyclane fumarate
- Drug Entry
- Bencyclane
A vasodilator agent found to be effective in a variety of peripheral circulation disorders. It has various other potentially useful pharmacological effects. Its mechanism may involve block of calcium channels.
- Accession Number
- DBSALT002573
- Structure
Structure for Bencyclane fumarate (DBSALT002573)
- Synonyms
- Not Available
- External IDs
- EGYT 201 / EGYT-201
- UNII
- OZN2MG334O
- CAS Number
- 14286-84-1
- Weight
- Average: 405.535
Monoisotopic: 405.251523231 - Chemical Formula
- C23H35NO5
- InChI Key
- LSTKNZAMFRGXCG-WLHGVMLRSA-N
- InChI
- InChI=1S/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
- IUPAC Name
- (2E)-but-2-enedioic acid; {3-[(1-benzylcycloheptyl)oxy]propyl}dimethylamine
- SMILES
- OC(=O)\C=C\C(O)=O.CN(C)CCCOC1(CC2=CC=CC=C2)CCCCCC1
- External Links
- ChemSpider
- 4445558
- ChEBI
- 31256
- ChEMBL
- CHEMBL2105930
- Predicted Properties
Property Value Source Water Solubility 0.000361 mg/mL ALOGPS logP 5.07 ALOGPS logP 4.38 Chemaxon logS -5.9 ALOGPS pKa (Strongest Basic) 9.46 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 90.77 m3·mol-1 Chemaxon Polarizability 35.87 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon