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PD 128907

CAT: 0013-GTR19184170-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184170-02Size:50 mg
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Description
PD 128907 is a selective dopamine D2/D3 receptor agonist widely used in neuroscience research. It is employed in both in vitro and in vivo studies to investigate receptor functions, such as autoreceptor-mediated feedback inhibition of dopamine synthesis and release.
CAS Number
123594-64-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CC) N1[C@@]2 ([C@] (C=3C (OC2) =CC=C (O) C3) (OCC1) [H]) [H]
Molecular Formula
C14H19NO3
Molecular Weight
249.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PD 128907
CAS Number123594-64-9
PubChem CID115107
IUPAC Name(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Molecular FormulaC14H19NO3
Molecular Weight249.30
XLogP2
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity286
SMILES
CCCN1CCO[C@@H]2[C@@H]1COC3=C2C=C(C=C3)O
InChI
InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
InChIKey
YOILXOMTHPUMRG-JSGCOSHPSA-N
Chemical Structure
2D Structure
2D structure of PD 128907
CAS: 123594-64-9
CID: 115107
Formula: C14H19NO3
MW: 249.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.30
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass249.13649347
Monoisotopic Mass249.13649347
Topological Polar Surface Area41.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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