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Toxoflavin 5mg

CAT: 0628-A12174-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12174-5Size:5 mg
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CAS Number
84-82-2

Chemical Information

Xanthothricin

Toxoflavin is a pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. It has a role as a toxin, an antibacterial agent, an antineoplastic agent, an apoptosis inducer, a virulence factor, a bacterial metabolite and a Wnt signalling inhibitor. It is a pyrimidotriazine and a carbonyl compound. It is functionally related to a reumycin.

CAS Number84-82-2
PubChem CID66541
IUPAC Name1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular FormulaC7H7N5O2
Molecular Weight193.16
XLogP-0.7
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity408
SMILES
CN1C2=NC(=O)N(C(=O)C2=NC=N1)C
InChI
InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKey
SLGRAIAQIAUZAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthothricin
CAS: 84-82-2
CID: 66541
Formula: C7H7N5O2
MW: 193.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.16
XLogP3-0.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass193.05997448
Monoisotopic Mass193.05997448
Topological Polar Surface Area77.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity408
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

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