Compound C21H31BrN2O9

5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;2,3-dihydroxybutanedioic acid

CAS: 98527-06-1

Molecular Formula	`C21H31BrN2O9`
Molecular Weight	535.4 g/mol
Topological Polar Surface Area	177.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	534.1213
Heavy Atoms	33
Complexity	530.0

Chemical Identifiers

CAS Number	98527-06-1
SMILES	`CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Br.C(C(C(=O)O)O)(C(=O)O)O`
InChIKey	`OOARQPDKIIDZEH-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H31BrN2O9 (CAS: 98527-06-1) is a chemical compound with molecular formula C21H31BrN2O9 and molecular weight 535.4 g/mol. Its IUPAC systematic name is 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;2,3-dihydroxybutanedioic acid. Topological Polar Surface Area 177.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 9 Exact Mass 534.1213 Heavy Atoms 33 Complexity 530.0 InChI Key: OOARQPDKIIDZEH-UHFFFAOYSA-N. SMILES: CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Br.C(C(C(=O)O)O)(C(=O)O)O.

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