2H-Indol-2-one, 1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)
Basic information
- CAS
42773-76-2- Standard SMILES
CCOC1(c2ccccc2)C(=O)N(CCC[NH+](CC)CC)c2ccccc21.O=C([O-])/C=C/C(=O)O- InChIKey
FINMUVPWUHAFBA-WLHGVMLRSA-N- Molecular formula
- C27H34N2O6
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.24168681
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)
- IUPAC
- 3-(3-ethoxy-2-oxo-3-phenylindol-1-yl)propyl-diethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
2H-Indol-2-one, 1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)42773-76-2RefChem:10652421,3-Dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-2H-indol-2-one fumarate hydrate
Database identifiers
- CAS
42773-76-2- PubChem CID
- 6434352
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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