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Abanoquil

CAT: 0931-T26507-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26507-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90402-40-7
Target
Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
Abanoquil is an antagonist of alpha-1 adrenoceptor.
Smiles
COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Molecular Formula
C22H25N3O4
Molecular Weight
395.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19198347-01Abanoquil
HY-118039Abanoquil (methylsulfate)

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