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Substance Name: EINECS 258-619-9
RN: 53542-42-0
InChIKey: XYVCUQHFZOJKNW-UHFFFAOYSA-N

Molecular Formula

  • C23-H26-F4-N2-O-S.2Cl-H

Molecular Weight

  • 527.4512
 
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Names and Synonyms

Results Name

  • EINECS 258-619-9

Synonym

  • EINECS 258-619-9

Systematic Name

  • 4-(3-(6-Fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-yl)propyl)piperazine-1-ethanol dihydrochloride

Registry Numbers

CAS Registry Number

  • 53542-42-0

Related Registry Number

  • 55837-23-5 (Parent)

System Generated Number

  • 0053542420

Molecular Formulas

Molecular Formula

  • C23-H26-F4-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C23-H26-F4-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26F4N2OS.2ClH/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17;;/h3-6,14-15,18,30H,1-2,7-13H2;2*1H

InChIKey

XYVCUQHFZOJKNW-UHFFFAOYSA-N

Smiles

c1cc2c(cc1C(F)(F)F)C(c3ccc(cc3S2)F)CCCN4CCN(CC4)CCO.Cl.Cl