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Dehydroevodiamine

CAT: 0013-GTR19171130-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171130-05Size:100 mg
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Description
Dehydroevodiamine
CAS Number
67909-49-3
Product Name Alternative
Dehydroevodiamine, DHED, Cyclooxygenase, COX, inhibit, NOSynthase, NOS, NFκB, NF-κB, NF-kB, NFkB, Nitric oxide synthases, Nuclear factor-κB, Nuclear factor-kappaB, NO Synthase, Inhibitor, PGE Synthase, PGE synthase, PGESynthase, Prostaglandin E synthase
Field of Research
Immunology & Inflammation, Neuroscience, Signal Transduction
Purity
99.12% (May vary between batches)
Solubility
10% DMSO+90% Saline:1 mg/mL (3.32 mM) ; DMSO:16.67 mg/mL (55.32 mM)
Smiles
C[n+]1c2-c3[n-]c4ccccc4c3CCn2c (=O) c2ccccc12
Molecular Formula
C19H15N3O
Molecular Weight
301.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dehydroevodiamine

21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15,17,19-octaen-14-one has been reported in Tetradium ruticarpum with data available.

CAS Number67909-49-3
PubChem CID9817839
IUPAC Name21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
Molecular FormulaC19H15N3O
Molecular Weight301.3
XLogP2.1
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity753
SMILES
CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3
InChI
InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3
InChIKey
VXHNSVKJHXSKKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dehydroevodiamine
CAS: 67909-49-3
CID: 9817839
Formula: C19H15N3O
MW: 301.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.3
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass301.121512110
Monoisotopic Mass301.121512110
Topological Polar Surface Area35.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity753
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
BA5921-10Dehydroevodiamine
HY-N2106RDehydroevodiamine (Standard)
HY-N6029-01Dehydroevodiamine (hydrochloride)
S3820-5mgDehydroevodiamine hydrochloride

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