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Substance Name: Gbr 13098
RN: 77862-94-3
InChIKey: HDZUAWFACXESQE-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-F3-N2-O.2C-H4-O3-S

Molecular Weight

  • 660.7711
 
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Names and Synonyms

Name of Substance

  • Gbr 13098

Synonyms

  • 1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-(4-fluorophenyl)propyl)piperazine dimethanesulfonate
  • Gbr-13098

Systematic Name

  • Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-(4-fluorophenyl)propyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 77862-94-3

System Generated Number

  • 0077862943

Molecular Formulas

Molecular Formula

  • C28-H31-F3-N2-O.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C28-H31-F3-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31F3N2O.2CH4O3S/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24;2*1-5(2,3)4/h3-14,28H,1-2,15-21H2;2*1H3,(H,2,3,4)

InChIKey

HDZUAWFACXESQE-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc(ccc1CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F)F