Home Halogens 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

CAS No.:
26864-56-2
Catalog Number:
AG00I52R
Molecular Formula:
C28H27ClF5NO
Molecular Weight:
523.9651
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$113
- +
25g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG00I52R
Chemical Name:
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CAS Number:
26864-56-2
Molecular Formula:
C28H27ClF5NO
Molecular Weight:
523.9651
MDL Number:
MFCD00866714
IUPAC Name:
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
InChI:
InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
InChI Key:
MDLAAYDRRZXJIF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)(O)c1ccc(c(c1)C(F)(F)F)Cl
EC Number:
248-074-5
UNII:
25TLU22Q8H
NSC Number:
759179
Properties
Complexity:
647  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.17g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
523.972g/mol
Monoisotopic Mass:
523.17g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  
Literature
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LC-MS-MS analysis of the neuroleptics clozapine, flupentixol, haloperidol, penfluridol, thioridazine, and zuclopenthixol in hair obtained from psychiatric patients. Journal of analytical toxicology 20020101
Comparative short-term evaluation of penfluridol and trifluoperazine in chronic schizophrenia. Indian journal of physiology and pharmacology 19880101
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Properties