RefChem:1073420
2-[(14-chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-chloro-5-((2-dimethylamino)ethoxy)-, hydrogen maleate|5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 10,11-DIHYDRO-7-CHLORO-5-((2-DIMETHYLAMI|Ethanamine, 2-[(7-chloro-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C22H25ClN2O5 |
|---|---|
| Molecular Weight | 432.1452 g/mol |
| LogP | 0.4612 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1452 |
| Monoisotopic Mass | 432.1452 |
| Heavy Atoms | 30 |
| Complexity | 898.15094 |
Chemical Identifiers
| CAS Number | 36040-20-7 |
|---|---|
| SMILES | C[NH+](C)CCOC1C2=C(CCC3=C1C=C(C=C3)Cl)N=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073420 (CAS 36040-20-7), with molecular formula C22H25ClN2O5 and molecular weight 432.1452 g/mol. IUPAC: 2-[(14-chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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