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Phaclofen

CAT: 0957-E6459-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E6459-04Size:1 g
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Description
Phaclofen is a selective antagonist of GABAB receptor. Phaclofen is a peripheral and central baclofen antagonist that is used in determining the physiological significance of central and peripheral bicuculline-insensitive receptors with which GABA and (-) -baclofen interact.
CAS Number
114012-12-3
Target
GABA Receptor
Activity
Neuronal Signaling
Molecular Formula
C9H13ClNO3P

Chemical Information

Phaclofen

peripheral & central baclofen & GABA antagonist; structure given in first source

CAS Number114012-12-3
PubChem CID1641
IUPAC Name[3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
Molecular FormulaC9H13ClNO3P
Molecular Weight249.63
XLogP-2.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity238
SMILES
C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl
InChI
InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)
InChIKey
VSGNGLJPOGUDON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phaclofen
CAS: 114012-12-3
CID: 1641
Formula: C9H13ClNO3P
MW: 249.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.63
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass249.0321580
Monoisotopic Mass249.0321580
Topological Polar Surface Area83.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-100798-01Phaclofen

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