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Ledazerol

CAT: 0931-T32621-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T32621-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116795-97-2
Target
Others
Related Pathways
Others
Bioactivity
Ledazerol is a vasodilator.
Smiles
C(C1=C(O)C(CO)=CC=C1)C2=CN=CN2
Molecular Formula
C11H12N2O2
Molecular Weight
204.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ledazerol

Ledazerol is a small molecule drug. Ledazerol has a monoisotopic molecular weight of 204.09 Da.

CAS Number116795-97-2
PubChem CID65932
IUPAC Name2-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)phenol
Molecular FormulaC11H12N2O2
Molecular Weight204.22
XLogP1.3
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity201
SMILES
C1=CC(=C(C(=C1)CO)O)CC2=CN=CN2
InChI
InChI=1S/C11H12N2O2/c14-6-9-3-1-2-8(11(9)15)4-10-5-12-7-13-10/h1-3,5,7,14-15H,4,6H2,(H,12,13)
InChIKey
PGVXBSSEVQUMQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ledazerol
CAS: 116795-97-2
CID: 65932
Formula: C11H12N2O2
MW: 204.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.22
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass204.089877630
Monoisotopic Mass204.089877630
Topological Polar Surface Area69.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity201
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
MBS5782189Ledazerol

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