Compound C23H29BrN2O9

1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate

CAS: 7054-85-5

Molecular Formula	`C23H29BrN2O9`
Molecular Weight	557.4 g/mol
Topological Polar Surface Area	171.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	556.10565
Heavy Atoms	35
Complexity	600.0

Chemical Identifiers

CAS Number	7054-85-5
SMILES	`CC(CN1C=CC=C1C(=O)C2=C(C=CC=C2Br)OC)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O`
InChIKey	`NOBRFESJNKGQOO-UHFFFAOYSA-N`

📖 Product Overview

Compound C23H29BrN2O9 (CAS: 7054-85-5) is a chemical compound with molecular formula C23H29BrN2O9 and molecular weight 557.4 g/mol. Its IUPAC systematic name is 1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate. Topological Polar Surface Area 171.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 556.10565 Heavy Atoms 35 Complexity 600.0 InChI Key: NOBRFESJNKGQOO-UHFFFAOYSA-N. SMILES: CC(CN1C=CC=C1C(=O)C2=C(C=CC=C2Br)OC)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.

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