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Abanoquil

CAT: 0013-GTR19198347-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198347-02Size:50 mg
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Description
Abanoquil is a selective alpha-1 adrenergic receptor antagonist. It is a valuable research tool for investigating sympathetic nervous system function in cardiovascular and urological studies, applicable in both in vitro binding assays and in vivo physiological models.
CAS Number
90402-40-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
COc1cc2CCN (Cc2cc1OC) c1cc (N) c2cc (OC) c (OC) cc2n1
Molecular Formula
C22H25N3O4
Molecular Weight
395.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abanoquil

Abanoquil is a small molecule drug. Abanoquil has a monoisotopic molecular weight of 395.18 Da.

CAS Number90402-40-7
PubChem CID164089
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
Molecular FormulaC22H25N3O4
Molecular Weight395.5
XLogP3.4
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity538
SMILES
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
InChI
InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
InChIKey
ANZIISNSHPKVRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abanoquil
CAS: 90402-40-7
CID: 164089
Formula: C22H25N3O4
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass395.18450629
Monoisotopic Mass395.18450629
Topological Polar Surface Area79.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5142-10Abanoquil
HY-118039Abanoquil (methylsulfate)

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