Compound Summary
Zolantidine dimaleate
Compound Information
Zolantidine dimaleate
Compound Name: | Zolantidine dimaleate |
Compound CID: | 11957725 |
Synonyms: | Zolantidine dimaleate |
Iupac Name: | (Z)-but-2-enedioic acid;N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine |
InChI: | InChI=1S/C22H27N3OS.2C4H4O4/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22;2*5-3(6)1-2-4(7)8/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
InChIKey: | IECBEVAUEBZJCF-SPIKMXEPSA-N |
Canonical Smiles: | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 613.7 |
Molecular Formula: | C30H35N3O9S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Zolantidine dimaleate
Molecular Weight: | 613.7 |
Molecular Formula: | C30H35N3O9S |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 43 |
Complexity: | 551 |
Synonyms
Zolantidine dimaleate
Experimental Data
Zolantidine dimaleate
Experimental Data Visualization
Zolantidine dimaleate
Statistics Data
Zolantidine dimaleate
Statistics Data Visualization
Zolantidine dimaleate
