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Alkaloids

Xanthothricin

Also known as Toxoflavin, Xanthotricin, 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

CAS 84-82-2Formula C7H7N5O2Molar mass 193.17 g/molEC 687-162-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 5 suppliers listed
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Xanthothricin chemical structure, C7H7N5O2, CAS 84-82-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
84-82-2
Formula
C7H7N5O2
Molar mass
193.17 g/mol
EC number
687-162-1
HS code
293980
Category
Alkaloids

What is Xanthothricin?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CAS number
84-82-2 CAS number cross-checked
EC number
687-162-1
Molecular formula
C7H7N5O2
UNII
5N5YI4IP1P
MDL number
MFCD00459812
InChIKey
SLGRAIAQIAUZAQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
SMILES (canonical and isomeric)
CN1C2=NC(=O)N(C(=O)C2=NC=N1)C

Synonyms

  • Toxoflavin
  • Xanthotricin
  • 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
  • 1,6-Dimethylpyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione
  • 1,6-Dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione
  • 1,6-Dimethylpyrimido[5,4-E]-1,2,4-triazine-5,7(1H,6H)-dione
  • 1,6-dimethylpyrimido(5,4-e)(1,2,4)triazine-5,7-dione
  • Toxoflavine
  • 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
  • 1,6-dimethyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
  • 1,6-Dimethyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido(5,4-E)-as-triazine-5,7(1H,6H)-dione
  • Xanthothricin, Toxoflavine, PKF-118-310
  • Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 1,6-dimethyl-
  • Xanthothricin (VAN)
  • Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-
  • GNF-Pf-67
  • Xanthrothricin
  • 1-methylreumycin
  • Pyrimido(5,4-e)-as-triazine-5,7-(1H,6H)-dione, 1,6-dimethyl-
  • 4-26-00-04141 (Beilstein Handbook Reference)
  • Toxoflavin (PKF118-310)?
  • 1,6-Dimethyl-pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione
  • 1,4-e]-as-triazine-5,7(1H,6H)-dione
  • Pyrimido[5,7(1H,6H)-dione, 1,6-dimethyl-
  • PKF118-310, >=98% (HPLC)
Show all 33 synonyms
  • Pyrimido[5,7-(1H,6H)-dione, 1,6-dimethyl-
  • US9284299, PKF118-310
  • 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-quinone
  • 1,6-dimethyl-1H-pyrimido[5,6-e][1,2,4]triazine-5,7-dione
  • Pyrimido[5,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-
  • Pyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-
  • 1,5,6,7-Tetrahydro-1,6-dimethylpyrimidino(5,4-e)triazine-5,7-dione
  • 1,7-dioxo-1,5,6,7-tetrahydropyrimido[5,4-e]-as-triazine-5,7(1H,6H)-dione

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
193.17 g/molcalc.
Exact mass
193.06 Dacalc.
LogP (octanol/water)
-1.63calc.
Topological polar surface area
82.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1nc2[nH]ncnc-2c(=O)[nH]1

O=c1nc2[nH]ncnc-2c(=O)[nH]1

2 rings, 12 atoms, the Pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione ring system.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Xanthothricin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Where suppliers are based

5 suppliers in 3 countries

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Xanthothricin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Wnt signalling inhibitor
  • antibacterial agent
  • antimicrobial agent
  • antineoplastic agent
  • apoptosis inducer
  • bacterial metabolite
  • metabolite
  • pharmaceutical
  • poison
  • prokaryotic metabolite
  • toxin
  • virulence factor

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Xanthothricin is traded under.

HS 2939.80Indicative HS code

Natural or reproduced by synthesis, and their salts, esters and other derivatives not elsewhere classified…

World exports in 2024
$49.3M
+13.2% vs 2023, imports $61.4M
2019 to 2024
Top exporters
  1. China31.7%
  2. India * partner reported23.1%
  3. South Africa7.8%
Top importers
  1. Austria28.6%
  2. United States11.9%
  3. United Kingdom7.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Xanthothricin is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Xanthothricin, based on the data on this page

What is 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.

What is the CAS number of Xanthothricin?

The CAS registry number of Xanthothricin is 84-82-2.

What is the molecular formula and weight of Xanthothricin?

The molecular formula of Xanthothricin is C7H7N5O2 and its molar mass is 193.17 g/mol.

What is Xanthothricin used for?

Known uses and roles of Xanthothricin include wnt signalling inhibitor, antibacterial agent, antimicrobial agent, antineoplastic agent, apoptosis inducer and 7 more.

Is Xanthothricin hazardous?

Xanthothricin carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Xanthothricin?

Xanthothricin is usually classified under HS code 293980 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xanthothricin?

CompoundList lists 5 suppliers of Xanthothricin in China, Australia and Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Xanthothricin?

Suppliers quote Xanthothricin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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