ISOXAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-(3-PYRIDYL)-, CITRATE
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium
| Molecular Formula | C20H27N3O8 |
|---|---|
| Molecular Weight | 437.4 g/mol |
| Topological Polar Surface Area | 178.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.1798 |
| Heavy Atoms | 31 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 14908-97-5 |
|---|---|
| SMILES | CC[NH+](CC)CCC1=CC(=NO1)C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | ITQLLNUKISHZLN-UHFFFAOYSA-N |
📖 Product Overview
ISOXAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-(3-PYRIDYL)-, CITRATE (CAS: 14908-97-5) is a chemical compound with molecular formula C20H27N3O8 and molecular weight 437.4 g/mol. Its IUPAC systematic name is 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium.
ITQLLNUKISHZLN-UHFFFAOYSA-N.
SMILES: CC[NH+](CC)CCC1=CC(=NO1)C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.
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