2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate

1-(2-benzoylpyrrol-1-yl)propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate

CAS: 7001-97-0

Molecular Formula	`C22H28N2O8`
Molecular Weight	448.5 g/mol
Topological Polar Surface Area	161.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	448.18457
Heavy Atoms	32
Complexity	519.0

Chemical Identifiers

CAS Number	7001-97-0
SMILES	`CC(CN1C=CC=C1C(=O)C2=CC=CC=C2)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O`
InChIKey	`QADJMRYFQBLPMU-UHFFFAOYSA-N`

📖 Product Overview

2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate (CAS: 7001-97-0) is a chemical compound with molecular formula C22H28N2O8 and molecular weight 448.5 g/mol. Its IUPAC systematic name is 1-(2-benzoylpyrrol-1-yl)propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate. Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 448.18457 Heavy Atoms 32 Complexity 519.0 InChI Key: QADJMRYFQBLPMU-UHFFFAOYSA-N. SMILES: CC(CN1C=CC=C1C(=O)C2=CC=CC=C2)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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