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GBR-12935 2HCl 5mg

CAT: 0628-A11937-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A11937-5Size:5 mg
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CAS Number
67469-81-2

Chemical Information

1-[2-(Benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride

1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride is a hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). It has a role as a dopamine uptake inhibitor. It contains a 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+).

CAS Number67469-81-2
PubChem CID11957553
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride
Molecular FormulaC28H36Cl2N2O
Molecular Weight487.5
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity440
SMILES
C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
InChI
InChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H
InChIKey
NQWRSILGEXNJIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(Benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
CAS: 67469-81-2
CID: 11957553
Formula: C28H36Cl2N2O
MW: 487.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass486.2204692
Monoisotopic Mass486.2204692
Topological Polar Surface Area15.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity440
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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