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Substance Name: Teflutixol [INN]
RN: 55837-23-5
UNII: 1O8A15G935
InChIKey: BJWAPFORUPUXRJ-UHFFFAOYSA-N

Classification Code

  • Neuroleptic

Molecular Formula

  • C23-H26-F4-N2-O-S

Molecular Weight

  • 454.5294
 
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Names and Synonyms

Name of Substance

  • Teflutixol
  • Teflutixol [INN]

Synonyms

  • 4-(3-(6-Fluoro-2-(trifluoromethyl)thioxanthen-9-yl)propyl)-1-piperazineethanol
  • EINECS 259-850-8
  • Teflutixol
  • Teflutixolum
  • Teflutixolum [INN-Latin]
  • UNII-1O8A15G935

Systematic Names

  • 4-(3-(6-Fluoro-2-(trifluoromethyl)thioxanthen-9-yl)propyl)-1-piperazineethanol
  • Teflutixol

Registry Numbers

CAS Registry Number

  • 55837-23-5

FDA UNII

  • 1O8A15G935

Related Registry Number

  • 53542-42-0 (di-hydrochloride)

System Generated Number

  • 0055837235

Structure Descriptors

InChI

1S/C23H26F4N2OS/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

InChIKey

BJWAPFORUPUXRJ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.47 (none)   EXP
Water Solubility 0.168 mg/L 25 EST
Vapor Pressure 1.98E-12 mm Hg 25 EST
Henry's Law Constant 2.10E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.55E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.