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Fenetradil

CAT: 0013-GTR19241796-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241796-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FENETRADIL is a research compound known for its coronary vasodilatory properties. It is utilized in cardiovascular research to study vasodilation mechanisms and has been applied in both in vitro assays and in vivo experimental models.
CAS Number
54063-39-7
Smiles
O=C (OC (COCC (C) C) CN1CCN (C) CC1) C (C=2C=CC=CC2) CC
Molecular Formula
C22H36N2O3
Molecular Weight
376.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fenetradil
CAS Number54063-39-7
PubChem CID216214
IUPAC Name[1-(4-methylpiperazin-1-yl)-3-(2-methylpropoxy)propan-2-yl] 2-phenylbutanoate
Molecular FormulaC22H36N2O3
Molecular Weight376.5
XLogP3.7
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity416
SMILES
CCC(C1=CC=CC=C1)C(=O)OC(CN2CCN(CC2)C)COCC(C)C
InChI
InChI=1S/C22H36N2O3/c1-5-21(19-9-7-6-8-10-19)22(25)27-20(17-26-16-18(2)3)15-24-13-11-23(4)12-14-24/h6-10,18,20-21H,5,11-17H2,1-4H3
InChIKey
JAHOJXDGNNONSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenetradil
CAS: 54063-39-7
CID: 216214
Formula: C22H36N2O3
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass376.27259301
Monoisotopic Mass376.27259301
Topological Polar Surface Area42 Ų
Heavy Atom Count27
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202738-01Fenetradil

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