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Anitrazafen

CAT: 0931-T14292-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14292-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63119-27-7
Target
Others, Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Others
Bioactivity
Anitrazafen is a locally effective anti-inflammatory agent that has been shown to have COX-2 inhibitor activity.
Smiles
CC=1N=C(C(=NN1)C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3
Molecular Formula
C18H17N3O2
Molecular Weight
307.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anitrazafen

Anitrazafen is a small molecule drug. Anitrazafen has a monoisotopic molecular weight of 307.13 Da.

CAS Number63119-27-7
PubChem CID44410
IUPAC Name5,6-bis(4-methoxyphenyl)-3-methyl-1,2,4-triazine
Molecular FormulaC18H17N3O2
Molecular Weight307.3
XLogP2.9
Topological Polar Surface Area57.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity352
SMILES
CC1=NC(=C(N=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H17N3O2/c1-12-19-17(13-4-8-15(22-2)9-5-13)18(21-20-12)14-6-10-16(23-3)11-7-14/h4-11H,1-3H3
InChIKey
HDNJXZZJFPCFHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anitrazafen
CAS: 63119-27-7
CID: 44410
Formula: C18H17N3O2
MW: 307.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight307.3
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass307.132076794
Monoisotopic Mass307.132076794
Topological Polar Surface Area57.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity352
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