CDK     0306170842

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.3121  -12.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3121  -13.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314  -13.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314  -12.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467  -12.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7432  -13.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4591  -13.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1785  -13.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1821  -12.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4662  -12.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8974  -12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6132  -12.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3328  -12.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0487  -12.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2950  -11.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0515  -11.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7633  -11.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7599  -12.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4786  -11.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865  -11.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9019  -11.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9054  -10.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1935   -9.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4783  -10.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1970   -8.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0174   -8.9868    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.3696   -8.9868    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2077   -8.1643    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1935  -12.9858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0 
 14 18  1  0  0  0  0 
  5  6  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
  6  7  1  0  0  0  0 
 16 17  1  0  0  0  0 
  7  8  2  0  0  0  0 
 17 18  2  0  0  0  0 
  8  9  1  0  0  0  0 
 17 19  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
  1  2  2  0  0  0  0 
 11 12  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 19  1  0  0  0  0 
  2  3  1  0  0  0  0 
 23 25  1  0  0  0  0 
  3  6  2  0  0  0  0 
 25 26  1  0  0  0  0 
 12 13  1  0  0  0  0 
 25 27  1  0  0  0  0 
  5  4  2  0  0  0  0 
 25 28  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:32302

> <NAME>
Xaliproden hydrochloride

> <STAR>
2

> <SYNONYM>
Xaliproden hydrochloride; SR 57746A

> <FORMULA>
C24H23ClF3N; C24H22F3N.HCl

> <MASS>
417.895

> <MONOISOTOPIC_MASS>
417.14711

> <CHARGE>
0

> <SMILES>
C=1C=C2C(C=CC(=C2)CCN3CCC(=CC3)C4=CC=CC(=C4)C(F)(F)F)=CC1.Cl

> <INCHI>
InChI=1S/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H

> <INCHIKEY>
WVHBEIJGAINUBW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
90494-79-4

> <KEGG_DRUG_ACCESSION>
D01537

$$$$