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Baclofen

CAT: 0926-FB18127-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FB18127-02Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1134-47-0
Synonyms
B- (Aminomethyl) -4-chloro-benzenepropanoic acid; b- (Aminomethyl) -p-chlorohydrocinnamic acid; b- (4-Chlorophenyl) -GABA
MDL Number
MFCD00055143
Smiles
C1=CC (=CC=C1C (CC (=O) O) CN) Cl
Molecular Formula
C10H12ClNO2
Molecular Weight
213.66 g/mol
Controlled
No

Chemical Information

Baclofen

Baclofen is a monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant. It has a role as a central nervous system depressant, a muscle relaxant and a GABA agonist. It is a monocarboxylic acid, a gamma-amino acid, a primary amino compound and a member of monochlorobenzenes. It is a tautomer of a baclofen zwitterion.

CAS Number1134-47-0
PubChem CID2284
IUPAC Name4-amino-3-(4-chlorophenyl)butanoic acid
Molecular FormulaC10H12ClNO2
Molecular Weight213.66
XLogP-1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity191
SMILES
C1=CC(=CC=C1C(CC(=O)O)CN)Cl
InChI
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKey
KPYSYYIEGFHWSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Baclofen
CAS: 1134-47-0
CID: 2284
Formula: C10H12ClNO2
MW: 213.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.66
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass213.0556563
Monoisotopic Mass213.0556563
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity191
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
C4051-5000(±)-Baclofen
MBS3600468-01Baclofen
sc-200464(±) -Baclofen

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