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ICILIN

CAT: 0013-GTR19162348-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162348-07Size:50 mg
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Description
Icilin (AG 3-5) is a synthetic super-agonist of TRPM8 ion channel.
CAS Number
36945-98-9
Product Name Alternative
AG 3-5
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
O=C1NC (C2=CC=CC ([N+] ([O-]) =O) =C2) =CCN1C3=CC=CC=C3O
Molecular Formula
C16H13N3O4
Molecular Weight
311.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3,6-Dihydro-1- (2-hydroxyphenyl) -4- (3-nitrophenyl) -2 (1H) -pyrimidinone

Chemical Information

Icilin

3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one is a C-nitro compound.

CAS Number36945-98-9
PubChem CID161930
IUPAC Name3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
Molecular FormulaC16H13N3O4
Molecular Weight311.29
XLogP2.2
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity502
SMILES
C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
InChIKey
RCEFMOGVOYEGJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icilin
CAS: 36945-98-9
CID: 161930
Formula: C16H13N3O4
MW: 311.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.29
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass311.09060590
Monoisotopic Mass311.09060590
Topological Polar Surface Area98.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity502
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
526681Icilin

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