2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[3-(3-oxo-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium
Also Known As: AC1L1SJZ|RefChem:257798|AC1Q22A5|3-(2-(2-(Diethylamino)ethoxy)phenoxy)-4-phenylbutan-2-one citrate|2-BUTANONE, 3-(2-(2-(DIETHYLAMINO)ETHOXY)PHENOXY)-4-PHENYL-, CITRATE (1:1)|2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[3-(3-oxo-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium|n,n-diethyl-2-{3-[(3-oxo-1-phenylbutan-2-yl)oxy]phenoxy}ethanaminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
| Molecular Formula | C28H37NO10 |
|---|---|
| Molecular Weight | 547.24176 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 174.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 547.24176 |
| Heavy Atoms | 39 |
| Complexity | 1053.0 |
Chemical Identifiers
| CAS Number | 106063-80-3 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC(=CC=C1)OC(CC2=CC=CC=C2)C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
Product Overview
2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) (CAS 106063-80-3), with molecular formula C28H37NO10 and molecular weight 547.24176 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[3-(3-oxo-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium.
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