ISS 5041

2-[4-(2-heptanoyloxyethyl)piperazin-1-yl]ethyl heptanoate;dihydrochloride

CAS: 54468-75-6

Molecular Formula	`C22H44Cl2N2O4`
Molecular Weight	471.5 g/mol
Topological Polar Surface Area	59.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	18
Exact Mass	470.26782
Heavy Atoms	30
Complexity	371.0

Chemical Identifiers

CAS Number	54468-75-6
SMILES	`CCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCC.Cl.Cl`
InChIKey	`FQYJXAKBWMPFSE-UHFFFAOYSA-N`

📖 Product Overview

ISS 5041 (CAS: 54468-75-6) is a chemical compound with molecular formula C22H44Cl2N2O4 and molecular weight 471.5 g/mol. Its IUPAC systematic name is 2-[4-(2-heptanoyloxyethyl)piperazin-1-yl]ethyl heptanoate;dihydrochloride. Topological Polar Surface Area 59.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 18 Exact Mass 470.26782 Heavy Atoms 30 Complexity 371.0 InChI Key: FQYJXAKBWMPFSE-UHFFFAOYSA-N. SMILES: CCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCC.Cl.Cl.

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