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A 69024

CAT: 0931-T26433-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26433-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58939-37-0
Target
Others, Dopamine Receptor
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
A 69024 is a highly selective antagonist of dopamine D-1 receptor.
Smiles
C(C1C=2C(=CC(OC)=C(O)C2)CCN1C)C3=CC(OC)=C(OC)C=C3Br
Molecular Formula
C20H24BrNO4
Molecular Weight
422.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 69024

Dopamine D1 recetpor antagonist; structure given in first source

CAS Number58939-37-0
PubChem CID173657
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Molecular FormulaC20H24BrNO4
Molecular Weight422.3
XLogP4
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity454
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)O)OC
InChI
InChI=1S/C20H24BrNO4/c1-22-6-5-12-8-18(24-2)17(23)10-14(12)16(22)7-13-9-19(25-3)20(26-4)11-15(13)21/h8-11,16,23H,5-7H2,1-4H3
InChIKey
YVBUTIYRCMQJHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 69024
CAS: 58939-37-0
CID: 173657
Formula: C20H24BrNO4
MW: 422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass421.08887
Monoisotopic Mass421.08887
Topological Polar Surface Area51.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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