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Piribedil dihydrochloride

CAT: 0607-B6557-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6557-10Size:10 mg
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Description
dopamine agonist
CAS Number
1451048-94-4
Product Name Alternative
2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine dihydrochloride
Field of Research
Neuroscience Dopamine Receptor
Form
White solid
Solubility
<8.37mg/ml in H2O
Smiles
C1(CN2CCN(CC2)C3=NC=CC=N3)=CC4=C(C=C1)OCO4.Cl.Cl
Molecular Formula
C16H18N4O2·2HCl
Molecular Weight
371.27
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

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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