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IP-66

CAT: 0013-GTR19273388-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273388-01Size:10 mg
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Description
IP-66 is a potent postsynaptic alpha receptor antagonist, which can be utilized in cardiovascular disease research, including hypertension studies.
CAS Number
58013-09-5
Smiles
N=1C=CC=C (C1) C (OCC) CN2CCN (C=3C=CC=CC3OC) CC2
Molecular Formula
C20H27N3O2
Molecular Weight
341.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

IP 66

may show strong antagonism toward postsynaptic alpha-receptors & slight agonism towards presynaptic beta-receptors

CAS Number58013-09-5
PubChem CID162845
IUPAC Name1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine
Molecular FormulaC20H27N3O2
Molecular Weight341.4
XLogP2.5
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity374
SMILES
CCOC(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CN=CC=C3
InChI
InChI=1S/C20H27N3O2/c1-3-25-20(17-7-6-10-21-15-17)16-22-11-13-23(14-12-22)18-8-4-5-9-19(18)24-2/h4-10,15,20H,3,11-14,16H2,1-2H3
InChIKey
FFKRVMYEUOOFBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IP 66
CAS: 58013-09-5
CID: 162845
Formula: C20H27N3O2
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass341.21032711
Monoisotopic Mass341.21032711
Topological Polar Surface Area37.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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