Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:46, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 465842011 of page Toxoflavin for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

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This page contains a copy of the infobox ({{chembox}}) taken from revid 465842011 of page Toxoflavin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 1,6-Dimethylpyrimidotriazine-5,7(1H,6H)-dione
Other names Toxoflavine; Xanthothricin; Xanthotricin
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL578512
ChemSpider	59912
PubChem CID	66541
InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3Key: SLGRAIAQIAUZAQ-UHFFFAOYSA-N InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
SMILES O=C2\N=C1C(=N/C=N\N1C)\C(=O)N2C
Properties
Chemical formula	C₇H₇N₅O₂
Molar mass	193.166 g·mol
Appearance	Bright yellow solid
Melting point	172–173 °C (dec.)
Hazards
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1.7 mg/kg (IV, mouse) 8.4 mg/kd (oral, mouse)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

Chemical compound