Butyrophenone, 4-(4-(o-chlorophenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

4-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride

CAS: 17755-85-0

Molecular Formula	`C23H31Cl3N2O4`
Molecular Weight	505.9 g/mol
Topological Polar Surface Area	51.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	504.13495
Heavy Atoms	32
Complexity	515.0

Chemical Identifiers

CAS Number	17755-85-0
SMILES	`COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3Cl.Cl.Cl`
InChIKey	`SJSCYQUDNMCLHF-UHFFFAOYSA-N`

📖 Product Overview

Butyrophenone, 4-(4-(o-chlorophenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride (CAS: 17755-85-0) is a chemical compound with molecular formula C23H31Cl3N2O4 and molecular weight 505.9 g/mol. Its IUPAC systematic name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride. Topological Polar Surface Area 51.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 9 Exact Mass 504.13495 Heavy Atoms 32 Complexity 515.0 InChI Key: SJSCYQUDNMCLHF-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3Cl.Cl.Cl.

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