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NS-8

CAT: 0013-GTR19211993-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211993-02Size:50 mg
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Description
NS-8 is a pyrrole derivative that activates calcium-sensitive potassium channels, suppressing the micturition reflex by reducing afferent pelvic nerve activity. It is a useful research tool for investigating mechanisms of urinary dysfunction, including overactive bladder and incontinence, in both in vitro and in vivo experimental models.
CAS Number
186033-14-7
Field of Research
Pharmacology & Drug Discovery
Smiles
CC1=C (NC (N) =C1C#N) C2=C (F) C=CC=C2
Molecular Formula
C12H10FN3
Molecular Weight
215.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
CAS Number186033-14-7
PubChem CID10176749
IUPAC Name2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
Molecular FormulaC12H10FN3
Molecular Weight215.23
XLogP2.8
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity298
SMILES
CC1=C(NC(=C1C#N)N)C2=CC=CC=C2F
InChI
InChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3
InChIKey
KVDWOQGDMAEJLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
CAS: 186033-14-7
CID: 10176749
Formula: C12H10FN3
MW: 215.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.23
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass215.08587549
Monoisotopic Mass215.08587549
Topological Polar Surface Area65.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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