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CGP 20712 dihydrochloride

CAT: 0607-B6552-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6552-10Size:10 mg
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Description
β1 antagonist,highly potent and selective
CAS Number
1216905-73-5
Product Name Alternative
2-hydroxy-5-(2-((2-hydroxy-3-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)phenoxy)propyl)amino)ethoxy)benzimidic acid dihydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Form
A solid
Solubility
≥16.25 mg/mL in H2O
Smiles
CN(C(C1=CC=C(OCC(O)CNCCOC2=CC(C(O)=N)=C(O)C=C2)C=C1)=N3)C=C3C(F)(F)F.Cl.Cl
Molecular Formula
C23H25F3N4O5·2HCl
Molecular Weight
567.39
Shipping Conditions
Blue ice
Storage Conditions
Store at +4°C.

Chemical Information

CGP 20712 dihydrochloride
CAS Number1216905-73-5
PubChem CID56972164
IUPAC Name2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide;dihydrochloride
Molecular FormulaC23H27Cl2F3N4O5
Molecular Weight567.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity666
SMILES
CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.Cl.Cl
InChI
InChI=1S/C23H25F3N4O5.2ClH/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33;;/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33);2*1H
InChIKey
PURFQCFKYNMIQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CGP 20712 dihydrochloride
CAS: 1216905-73-5
CID: 56972164
Formula: C23H27Cl2F3N4O5
MW: 567.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass566.1310598
Monoisotopic Mass566.1310598
Topological Polar Surface Area132 Ų
Heavy Atom Count37
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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