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1-Phenylbiguanide HCl

CAT: 0013-GTR19233405Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233405Size:200 mg
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Description
Compound PDK0269 is a 5-HT3 receptor agonist (pEC50 5.05±0.06) that modulates hypoglossal (XII) nerve burst patterns and evokes dopamine release, an effect blocked by nomifensine. This small molecule is a useful research tool for investigating serotonergic regulation of respiratory and dopaminergic systems in vitro.
CAS Number
55-57-2
Product Name Alternative
Phenylbiguanide hydrochloride
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Smiles
Cl.N=C (N) NC (=N) NC=1C=CC=CC1
Molecular Formula
C8H12ClN5
Molecular Weight
213.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Phenylbiguanide monohydrochloride
CAS Number55-57-2
PubChem CID5932
IUPAC Name1-(diaminomethylidene)-2-phenylguanidine;hydrochloride
Molecular FormulaC8H12ClN5
Molecular Weight213.67
Topological Polar Surface Area103
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
C1=CC=C(C=C1)N=C(N)N=C(N)N.Cl
InChI
InChI=1S/C8H11N5.ClH/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H6,9,10,11,12,13);1H
InChIKey
FHUDRDSKZQDCBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylbiguanide monohydrochloride
CAS: 55-57-2
CID: 5932
Formula: C8H12ClN5
MW: 213.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.67
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass213.0781231
Monoisotopic Mass213.0781231
Topological Polar Surface Area103 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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