RefChem:1073433
dimethyl-[5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: RU-25,591|cis-5-(p-Nitrophenyloxy)-7-dimethylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene fumarate|5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-, (E)-2-butenedioate (1:1)|cis-6,7,8,9-Tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-5H-benzocyclohepten-7-amine fumarate|dimethyl-[5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H26N2O7 |
|---|---|
| Molecular Weight | 442.174 g/mol |
| LogP | 0.9414 |
| Topological Polar Surface Area | 134.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.174 |
| Monoisotopic Mass | 442.174 |
| Heavy Atoms | 32 |
| Complexity | 954.5651 |
Chemical Identifiers
| CAS Number | 72575-46-3 |
|---|---|
| SMILES | C[NH+](C)C1CCC2=CC=CC=C2C(C1)OC3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073433 (CAS 72575-46-3), with molecular formula C23H26N2O7 and molecular weight 442.174 g/mol. IUPAC: dimethyl-[5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
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