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BU 226 hydrochloride

CAT: 1410-M27502-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M27502-01Size:1 Each
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Description
BU 226 hydrochloride demonstrates affinity for imidazoline (I) receptors, in particular the I2 binding site with a Ki of 1.4 nM. BU 226 hydrochloride showed low (microM) affinity for alpha 2-adrenoceptors.
CAS Number
1186195-56-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
233.69
Molecular Formula
C12H12ClN3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

BU 226 hydrochloride
CAS Number1186195-56-1
PubChem CID56972194
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline;hydrochloride
Molecular FormulaC12H12ClN3
Molecular Weight233.69
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity262
SMILES
C1CN=C(N1)C2=CC3=CC=CC=C3C=N2.Cl
InChI
InChI=1S/C12H11N3.ClH/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12;/h1-4,7-8H,5-6H2,(H,13,14);1H
InChIKey
NIGHNKWLMSRCOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BU 226 hydrochloride
CAS: 1186195-56-1
CID: 56972194
Formula: C12H12ClN3
MW: 233.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass233.0719751
Monoisotopic Mass233.0719751
Topological Polar Surface Area37.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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