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Substance Name: 2-(2-(4-((4-Chlorophenyl)benzyl)piperazin-1-yl)ethoxy)ethyl 2-(3-benzoylphenyl)propionate, bis(sulphate)
RN: 76860-22-5
InChIKey: NLPFDKPIOQOYGS-UHFFFAOYSA-N

Molecular Formula

  • C37-H39-Cl-N2-O4.2H2-O4-S

Molecular Weight

  • 807.3337
 
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Names and Synonyms

Synonym

  • EINECS 278-563-9

Systematic Name

  • 2-(2-(4-((4-Chlorophenyl)benzyl)piperazin-1-yl)ethoxy)ethyl 2-(3-benzoylphenyl)propionate, bis(sulphate)

Registry Numbers

CAS Registry Number

  • 76860-22-5

System Generated Number

  • 0076860225

Molecular Formulas

Molecular Formula

  • C37-H39-Cl-N2-O4.2H2-O4-S

Molecular Formula Fragments

  • C37-H39-Cl-N2-O4
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C37H39ClN2O4.2H2O4S/c1-28(32-13-8-14-33(27-32)36(41)31-11-6-3-7-12-31)37(42)44-26-25-43-24-23-39-19-21-40(22-20-39)35(29-9-4-2-5-10-29)30-15-17-34(38)18-16-30;2*1-5(2,3)4/h2-18,27-28,35H,19-26H2,1H3;2*(H2,1,2,3,4)

InChIKey

NLPFDKPIOQOYGS-UHFFFAOYSA-N

Smiles

CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)OCCOCCN3CCN(CC3)C(c4ccccc4)c5ccc(cc5)Cl.OS(=O)(=O)O.OS(=O)(=O)O