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BD 1063 dihydrochloride

CAT: 0607-B6489-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B6489-25Size:25 mg
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Description
σ1 receptor antagonist,potent and selective
CAS Number
206996-13-6
Product Name Alternative
1-(3,4-dichlorophenethyl)-4-methylpiperazine dihydrochloride
Field of Research
GPCR G protein Sigma Receptor
Purity
0.98
Form
White solid
Solubility
Soluble to 100 mM in sterile water
Smiles
CN(CC1)CCN1CCC2=CC(Cl)=C(Cl)C=C2.Cl.Cl
Molecular Formula
C13H18Cl2N2·2HCl
Molecular Weight
346.13
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

BD 1063 Dihydrochloride
CAS Number206996-13-6
PubChem CID11617161
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
Molecular FormulaC13H20Cl4N2
Molecular Weight346.1
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity229
SMILES
CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl.Cl.Cl
InChI
InChI=1S/C13H18Cl2N2.2ClH/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11;;/h2-3,10H,4-9H2,1H3;2*1H
InChIKey
NXFDBTLQOARIMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BD 1063 Dihydrochloride
CAS: 206996-13-6
CID: 11617161
Formula: C13H20Cl4N2
MW: 346.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass346.035109
Monoisotopic Mass344.038059
Topological Polar Surface Area6.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity229
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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