Mrv0541 10161410542D          

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  7 16  2  0  0  0  0
  5  7  1  0  0  0  0
  8 17  1  0  0  0  0
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  9 10  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:31551

> <NAME>
eprazinone hydrochloride

> <DEFINITION>
A hydrochloride obtained by combining eprazinone with two molar equivalents of hydrochloric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:83322

> <SYNONYM>
Eprazinone HCl; Eprazinone dihydrochloride; 2-(4-(beta-Ethoxyphenethyl)-1-piperazinylmethyl)propiophenone dihydrochloride; 1-(2-Phenyl-2-ethoxy)ethyl-4-(2-benzyloxy)propylpiperazine dihydrochloride; 1-(2-Benzoylpropyl)-2-(2-ethoxy-2-phenylethyl)piperazine dihydrochloride

> <IUPAC_NAME>
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride; 1-(2-ethoxy-2-phenylethyl)-4-(2-methyl-3-oxo-3-phenylpropyl)piperazinediium dichloride

> <BRAND_NAME>
Resplen; Eftapan

> <FORMULA>
C24H34Cl2N2O2

> <MASS>
453.44500

> <MONOISOTOPIC_MASS>
452.19973

> <CHARGE>
0

> <SMILES>
Cl.Cl.CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1

> <INCHI>
InChI=1S/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H

> <INCHIKEY>
BPMQVOKMMQFZGV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10402-53-6

> <REAXYS_REGISTRY_NUMBER>
4625548

> <CHEMIDPLUS>
10402-53-6

> <DRUGBANK_ACCESSION>
DB08990

> <KEGG_DRUG_ACCESSION>
D01106

> <WIKIPEDIA_ACCESSION>
Eprazinone

> <PUBMED_CITATION>
1237598; 1237603; 1237604; 16409921; 19059327; 6997154

$$$$