KETONE, 1-(2-(DIETHYLAMINO)ETHYL)PYRROL-2-YL 3-PYRIDYL, CITRATE
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-(pyridine-3-carbonyl)pyrrol-1-yl]ethyl]azanium
| Molecular Formula | C22H29N3O8 |
|---|---|
| Molecular Weight | 463.5 g/mol |
| Topological Polar Surface Area | 174.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 463.19547 |
| Heavy Atoms | 33 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 6906-93-0 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C=CC=C1C(=O)C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | IYRYMYRUJQKSHK-UHFFFAOYSA-N |
📖 Product Overview
KETONE, 1-(2-(DIETHYLAMINO)ETHYL)PYRROL-2-YL 3-PYRIDYL, CITRATE (CAS: 6906-93-0) is a chemical compound with molecular formula C22H29N3O8 and molecular weight 463.5 g/mol. Its IUPAC systematic name is 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[2-(pyridine-3-carbonyl)pyrrol-1-yl]ethyl]azanium.
IYRYMYRUJQKSHK-UHFFFAOYSA-N.
SMILES: CC[NH+](CC)CCN1C=CC=C1C(=O)C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.
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