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Piribedil dihydrochloride

CAT: 0931-T23161-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23161-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1451048-94-4
Target
Dopamine Receptor, Histone Methyltransferase, Others, Adrenergic Receptor
Related Pathways
Neuroscience, Chromatin/Epigenetic, Others, GPCR/G Protein
Bioactivity
Dopamine agonist
Smiles
C1(N2CCN(CC2)CC3=CC=C4OCOC4=C3)=NC=CC=N1.Cl.Cl
Molecular Formula
C16H20Cl2N4O2
Molecular Weight
371.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piribedil dihydrochloride
CAS Number1451048-94-4
PubChem CID56972173
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;dihydrochloride
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.3
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity356
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.Cl.Cl
InChI
InChI=1S/C16H18N4O2.2ClH/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;;/h1-5,10H,6-9,11-12H2;2*1H
InChIKey
LTXWEVPOJXPWAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piribedil dihydrochloride
CAS: 1451048-94-4
CID: 56972173
Formula: C16H20Cl2N4O2
MW: 371.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass370.0963313
Monoisotopic Mass370.0963313
Topological Polar Surface Area50.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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