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AH 11110 hydrochloride

CAT: 0607-B6541-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6541-50Size:50 mg
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Description
α1B-AR ligand,subtype-selective
CAS Number
179388-65-9
Product Name Alternative
(S)-1-([1,1'-biphenyl]-2-yloxy)-4-imino-4-(piperidin-1-yl)butan-2-ol hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Form
White solid
Solubility
Soluble to 25 mM in H2O
Smiles
O[C@H](COC1=CC=CC=C1C2=CC=CC=C2)CC(N3CCCCC3)=N.Cl
Molecular Formula
C21H26N2O2·HCl
Molecular Weight
374.91
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

AH 11110
CAS Number179388-65-9
PubChem CID9907616
IUPAC Name4-imino-1-(2-phenylphenoxy)-4-piperidin-1-ylbutan-2-ol;hydrochloride
Molecular FormulaC21H27ClN2O2
Molecular Weight374.9
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity403
SMILES
C1CCN(CC1)C(=N)CC(COC2=CC=CC=C2C3=CC=CC=C3)O.Cl
InChI
InChI=1S/C21H26N2O2.ClH/c22-21(23-13-7-2-8-14-23)15-18(24)16-25-20-12-6-5-11-19(20)17-9-3-1-4-10-17;/h1,3-6,9-12,18,22,24H,2,7-8,13-16H2;1H
InChIKey
WWHGFIXWBLHHQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AH 11110
CAS: 179388-65-9
CID: 9907616
Formula: C21H27ClN2O2
MW: 374.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass374.1761058
Monoisotopic Mass374.1761058
Topological Polar Surface Area56.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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