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CGP 54062

CAT: 0013-GTR19209510-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209510-02Size:50 mg
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Description
CGP 54062 is a GABA-B receptor antagonist. Its (1S,2S) -isomer, CGP 55845, is a potent and selective tool compound widely used in neuroscience research to investigate GABA-B receptor function in both in vitro and in vivo experimental models.
CAS Number
148056-42-2
Smiles
C (NCC (CP (CC1=CC=CC=C1) (=O) O) O) (C) C2=CC (Cl) =C (Cl) C=C2
Molecular Formula
C18H22Cl2NO3P
Molecular Weight
402.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3-((1-(3,4-dichlorophenyl)ethyl)amino)-2-hydroxypropyl)(P-benzyl)-phosphinic acid
CAS Number148056-42-2
PubChem CID123885
IUPAC Namebenzyl-[3-[1-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
Molecular FormulaC18H22Cl2NO3P
Molecular Weight402.2
XLogP0.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity448
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2=CC=CC=C2)O)O
InChI
InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)
InChIKey
ZODSPDOOCZZEIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-((1-(3,4-dichlorophenyl)ethyl)amino)-2-hydroxypropyl)(P-benzyl)-phosphinic acid
CAS: 148056-42-2
CID: 123885
Formula: C18H22Cl2NO3P
MW: 402.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.2
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass401.0714359
Monoisotopic Mass401.0714359
Topological Polar Surface Area69.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T70566-01CGP 54062

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