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FR-168888 free base

CAT: 0931-T70278-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70278-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
168620-45-9
Target
Others
Related Pathways
Others
Bioactivity
FR-168888 free base is a new Na+/H+ exchange inhibitor. FR-168888 has a strong inhibitory effect on Na+/H+ exchange and has been shown to protect the heart from arrhythmia and myocardial cell death in ischemic and reperfused situations.
Smiles
C(NC(=N)N)(=O)C=1C=C(C=C(CO)C1)N2C=CC=C2
Molecular Formula
C13H14N4O2
Molecular Weight
258.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FR-168888 free base
CAS Number168620-45-9
PubChem CID9950471
IUPAC NameN-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide
Molecular FormulaC13H14N4O2
Molecular Weight258.28
XLogP0.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity349
SMILES
C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)N=C(N)N)CO
InChI
InChI=1S/C13H14N4O2/c14-13(15)16-12(19)10-5-9(8-18)6-11(7-10)17-3-1-2-4-17/h1-7,18H,8H2,(H4,14,15,16,19)
InChIKey
GGGBRMYYNXZUDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FR-168888 free base
CAS: 168620-45-9
CID: 9950471
Formula: C13H14N4O2
MW: 258.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.28
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass258.11167570
Monoisotopic Mass258.11167570
Topological Polar Surface Area107 Ų
Heavy Atom Count19
Formal Charge0
Complexity349
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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