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Substance Name: Hetolin
RN: 2390-22-9
UNII: 6JY8W7L5G4
InChIKey: SWDPECKACXBPCX-UHFFFAOYSA-N

Molecular Formula

  • C26-H25-Cl3-N2-O

Molecular Weight

  • 487.855
 
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Names and Synonyms

Name of Substance

  • Hetolin

Synonyms

  • EINECS 219-227-3
  • Hetolin
  • LZ 544
  • UNII-6JY8W7L5G4

Systematic Name

  • 1-Methyl-4-(3,3,3-tris(4-chlorophenyl)propionyl)piperazine

Registry Numbers

CAS Registry Number

  • 2390-22-9

FDA UNII

  • 6JY8W7L5G4

System Generated Number

  • 0002390229

Structure Descriptors

InChI

1S/C26H25Cl3N2O/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21/h2-13H,14-18H2,1H3

InChIKey

SWDPECKACXBPCX-UHFFFAOYSA-N

Smiles

C(CC(N1CCN(CC1)C)=O)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214 deg C   EXP
log P (octanol-water) 6.020 (none)   EST
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

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