Compound C25H37N3O9

1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one;oxalic acid

CAS: 58493-22-4

Molecular Formula	`C25H37N3O9`
Molecular Weight	523.6 g/mol
Topological Polar Surface Area	157.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	523.253
Heavy Atoms	37
Complexity	631.0

Chemical Identifiers

CAS Number	58493-22-4
SMILES	`COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3.C(=O)(C(=O)O)O`
InChIKey	`GVSHHIVHNWTOJF-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H37N3O9 (CAS: 58493-22-4) is a chemical compound with molecular formula C25H37N3O9 and molecular weight 523.6 g/mol. Its IUPAC systematic name is 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one;oxalic acid. Topological Polar Surface Area 157.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 8 Exact Mass 523.253 Heavy Atoms 37 Complexity 631.0 InChI Key: GVSHHIVHNWTOJF-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3.C(=O)(C(=O)O)O.

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