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Mefenidil

CAT: 0931-T33272-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T33272-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58261-91-9
Target
DNA/RNA Synthesis, Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Cell Cycle/Checkpoint, Others, Neuroscience, DNA Damage/DNA Repair
Purity
0.9844
Bioactivity
Mefenidil (McN-2378), a selective cerebral vasodilator, was shown to increase CBF in healthy brains without stimulating O2 uptake in a dog anesthesia model.
Smiles
C(C#N)C=1NC(=NC1C)C2=CC=CC=C2
Molecular Formula
C12H11N3
Molecular Weight
197.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mefenidil

Mefenidil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Mefenidil is a vasodilator. Mefenidil has a monoisotopic molecular weight of 197.1 Da.

CAS Number58261-91-9
PubChem CID65475
IUPAC Name2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
Molecular FormulaC12H11N3
Molecular Weight197.24
XLogP1.8
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity249
SMILES
CC1=C(N=C(N1)C2=CC=CC=C2)CC#N
InChI
InChI=1S/C12H11N3/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H,14,15)
InChIKey
OTRQRKIYHATFKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mefenidil
CAS: 58261-91-9
CID: 65475
Formula: C12H11N3
MW: 197.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass197.095297364
Monoisotopic Mass197.095297364
Topological Polar Surface Area52.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity249
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

Alternative Products

CatalogName
GTR19194090-01Mefenidil
AR-M04113-01N-Nitroso Mefenidil

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