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Revision as of 13:46, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460518569 of page Tositumomab for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').← Previous edit Revision as of 13:46, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465842011 of page Toxoflavin for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{Chembox
| Verifiedfields = changed | Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 409083424 | verifiedrevid = 459508337

| Reference = <ref name=Merck>'']'', 11th Edition, '''9480'''</ref><ref>, at the ]</ref>
<!--Monoclonal antibody data-->
| ImageFile = Toxoflavin.png
| type = mab
| mab_type = mab | ImageSize = 180px
| IUPACName = 1,6-Dimethylpyrimidotriazine-5,7(1''H'',6''H'')-dione
| source = o
| OtherNames = Toxoflavine; Xanthothricin; Xanthotricin
| target = ]
| Section1 = {{Chembox Identifiers

⚫ | CASNo_Ref = {{cascite|changed|??}}
<!--Clinical data-->
⚫ | CASNo = <!-- blanked - oldvalue: 84-82-2 -->
| tradename =
| Drugs.com = {{drugs.com|monograph|tositumomab}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| MedlinePlus = a609013 | ChEMBL = 578512
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| StdInChI = 1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
| pregnancy_US = <!-- A / B / C / D / X -->
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
| StdInChIKey = SLGRAIAQIAUZAQ-UHFFFAOYSA-N
| legal_UK = <!-- GSL / P / POM / CD -->
| PubChem = 66541
| legal_US = <!-- OTC / Rx-only -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

⚫ | ChemSpiderID = 59912
<!--Identifiers-->
| SMILES = O=C2\N=C1C(=N/C=N\N1C)\C(=O)N2C
⚫ | ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
| InChI = InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
⚫ | ChemSpiderID = NA
}}
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| Section2 = {{Chembox Properties
| CAS_number = 192391-48-3
| C=7|H=7|N=5|O=2
| ATC_prefix = V10
| Appearance = Bright yellow solid
| ATC_suffix = XA53
| Density =
| ATC_supplemental = (sequential regimen with <sup>131</sup>I form)
| MeltingPt = 172–173&nbsp;°C (dec.)
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00081 | BoilingPt =
| Solubility =
| UNII_Ref = {{fdacite|changed|FDA}}
}}
| UNII = 0343IGH41U
| Section3 = {{Chembox Hazards
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08622 | MainHazards =
| FlashPt =
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| Autoignition =
⚫ | ChEMBL = <!-- blanked - oldvalue: 1201604 -->
| LD50 = 1.7 mg/kg (], mouse)<br>8.4 mg/kd (], mouse)
| C=6416 | H=9874 | N=1688 | O=1987 | S=44
}}
| molecular_weight = 143859.7 g/mol
}} }}

Revision as of 13:46, 10 January 2012

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)
ChEMBL
ChemSpider
PubChem CID
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
  1. Merck Index, 11th Edition, 9480
  2. Toxoflavin, at the Comparative Toxicogenomics Database