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AD 0261

CAT: 0013-GTR19207512-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19207512-03Size:100 mg
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Description
AD 0261 is a potent radical scavenger that effectively inhibits lipid peroxide and superoxide anion generation. It is utilized in oxidative stress research, with applications in both in vitro assays and in vivo models studying related pathophysiology.
CAS Number
145600-69-7
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
C (N1CCN (CCCNC2=C (O) C=CC (C) =C2) CC1) (C3=CC=C (F) C=C3) C4=CC=C (F) C=C4
Molecular Formula
C27H31F2N3O
Molecular Weight
451.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[3-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]propylamino]-4-methylphenol
CAS Number145600-69-7
PubChem CID9955484
IUPAC Name2-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propylamino]-4-methylphenol
Molecular FormulaC27H31F2N3O
Molecular Weight451.6
XLogP5.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity536
SMILES
CC1=CC(=C(C=C1)O)NCCCN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C27H31F2N3O/c1-20-3-12-26(33)25(19-20)30-13-2-14-31-15-17-32(18-16-31)27(21-4-8-23(28)9-5-21)22-6-10-24(29)11-7-22/h3-12,19,27,30,33H,2,13-18H2,1H3
InChIKey
NVYQVXULNKIDMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]propylamino]-4-methylphenol
CAS: 145600-69-7
CID: 9955484
Formula: C27H31F2N3O
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass451.24351894
Monoisotopic Mass451.24351894
Topological Polar Surface Area38.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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