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A-69412

CAT: 1410-M32763-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32763-02Size:5 mg
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Description
A-69412 (N-1- (Fur-3-ylethyl) -N-hydroxyurea) is a reversible, specific inhibitor of the hydrophilic 5-lipoxygenase. It has the potential to treat ulcerative colitis and asthma, and possibly other inflammatory and allergic conditions.
CAS Number
123606-23-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
170.17
Molecular Formula
C7H10N2O3
Notes
Research use only, not for human use.
Receptor
Lipoxygenase

Chemical Information

N-1-(Fur-3-ylethyl)-N-hydroxyurea

a 5-lipoxygenase inhibitor; structure given in first source

CAS Number123606-23-5
PubChem CID130007
IUPAC Name1-[1-(furan-3-yl)ethyl]-1-hydroxyurea
Molecular FormulaC7H10N2O3
Molecular Weight170.17
XLogP-0.4
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
CC(C1=COC=C1)N(C(=O)N)O
InChI
InChI=1S/C7H10N2O3/c1-5(9(11)7(8)10)6-2-3-12-4-6/h2-5,11H,1H3,(H2,8,10)
InChIKey
PEYZZHBZAUNXCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-1-(Fur-3-ylethyl)-N-hydroxyurea
CAS: 123606-23-5
CID: 130007
Formula: C7H10N2O3
MW: 170.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight170.17
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass170.06914219
Monoisotopic Mass170.06914219
Topological Polar Surface Area79.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes