Compound Summary
U-99194 maleate
Compound Information
U-99194 maleate
Compound Name: | U-99194 maleate |
Compound CID: | 11957713 |
Synonyms: | U-99194 maleate |
Iupac Name: | (Z)-but-2-enedioic acid;5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine |
InChI: | InChI=1S/C17H27NO2.C4H4O4/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15;5-3(6)1-2-4(7)8/h11-12,15H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey: | FSIQDESGRQTFNN-BTJKTKAUSA-N |
Canonical Smiles: | CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 393.5 |
Molecular Formula: | C21H31NO6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
U-99194 maleate
Molecular Weight: | 393.5 |
Molecular Formula: | C21H31NO6 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 28 |
Complexity: | 377 |
Synonyms
U-99194 maleate
Experimental Data
U-99194 maleate
Experimental Data Visualization
U-99194 maleate
Statistics Data
U-99194 maleate
Statistics Data Visualization
U-99194 maleate
