Azatadine 2-butenedioate (1:2)
bis(but-2-enedioic acid);2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Also Known As: Azatadine maleate|Azatadine dimaleate|Azatadine (dimaleate)|Azatadine 2-butenedioate (1:2)|KS-00000FO7|SW219888-1|(Z)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(15),3(8),4,6,11,13-hexaene|(Z)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene|11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine dimaleate
| Molecular Formula | C28H30N2O8 |
|---|---|
| Molecular Weight | 522.2002 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 165.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.2002 |
| Heavy Atoms | 38 |
| Complexity | 1137.5 |
Chemical Identifiers
| CAS Number | 3978-86-7 |
|---|---|
| SMILES | CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
Azatadine 2-butenedioate (1:2) (CAS 3978-86-7), with molecular formula C28H30N2O8 and molecular weight 522.2002 g/mol. IUPAC: bis(but-2-enedioic acid);2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
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