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Pacrinolol

CAT: 0931-T68920-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T68920-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65655-59-6
Target
Others
Related Pathways
Others
Bioactivity
Pacrinolol is a beta adrenergic receptor antagonist.
Smiles
O(C)C1=C(OC)C=C(CCNCC(COC2=CC=C(C(=CC#N)C)C=C2)O)C=C1
Molecular Formula
C23H28N2O4
Molecular Weight
396.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pacrinolol

RN given refers to (-)-isomer

CAS Number65655-59-6
PubChem CID6436098
IUPAC Name(E)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]but-2-enenitrile
Molecular FormulaC23H28N2O4
Molecular Weight396.5
XLogP3.4
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity536
SMILES
C/C(=C\C#N)/C1=CC=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O
InChI
InChI=1S/C23H28N2O4/c1-17(10-12-24)19-5-7-21(8-6-19)29-16-20(26)15-25-13-11-18-4-9-22(27-2)23(14-18)28-3/h4-10,14,20,25-26H,11,13,15-16H2,1-3H3/b17-10+
InChIKey
BMAJJBHGPUHERB-LICLKQGHSA-N
Chemical Structure
2D Structure
2D structure of Pacrinolol
CAS: 65655-59-6
CID: 6436098
Formula: C23H28N2O4
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass396.20490738
Monoisotopic Mass396.20490738
Topological Polar Surface Area83.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19211022-01Pacrinolol

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