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Revision as of 14:29, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 473857949 of page Barakol for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'CAS_number').← Previous edit Revision as of 14:31, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 463560536 of page Bazinaprine for the Chem/Drugbox validation project (updated: 'UNII', 'ChEMBL', 'CAS_number').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|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{Drugbox
| IUPAC_name = 3-{amino}-6-phenylpyridazine-4-carbonitrile
| verifiedrevid = 451223287
| image = Bazinaprine.svg
| IUPAC_name = 2,5-Dimethyl-3aH-pyrano-1-benzopyran-3a,8-diol
⚫ | CAS_number = <!-- blanked - oldvalue: 94011-82-2 -->
| image = Barakol_structure.png
⚫ | ATC_prefix = None
| width = 220
| ATC_suffix =

| UNII = NU8Y4C529J
<!--Clinical data-->
| tradename = | ChEMBL = 150365
| PubChem = 72119
⚫ | legal_status =
⚫ | ChemSpiderID = 65096

| C = 17 | H = 19 | N = 5 | O = 1
<!--Identifiers-->
⚫ | molecular_weight = 309.366 g/mol
| CAS_number_Ref = {{cascite|correct|??}}
| smiles = N#Cc2cc(nnc2NCCN1CCOCC1)c3ccccc3
⚫ | CAS_number = <!-- blanked - oldvalue: 24506-68-1 -->
| InChI = 1/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)
⚫ | ATC_prefix = none
| InChIKey = KRNDIPHOJLIHRI-UHFFFAOYAK
| StdInChI = 1S/C13H12O4/c1-7-3-9-4-10(14)5-11-12(9)13(15,17-7)6-8(2)16-11/h3-6,14-15H,1-2H3
| StdInChI = 1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)
| StdInChIKey = LVPNMZHEDIKUFK-UHFFFAOYSA-N | StdInChIKey = KRNDIPHOJLIHRI-UHFFFAOYSA-N
| PubChem = 3080731
| bioavailability =
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| protein_bound =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| metabolism =
⚫ | ChemSpiderID = 2338470
| elimination_half-life =

| excretion =
<!--Chemical data-->
| C=13 | H=12 | O=4 | pregnancy_category =
⚫ | legal_status =
⚫ | molecular_weight = 232.231 g/mol
| routes_of_administration =
| smiles = CC2=Cc3cc(O)cc(c13)OC(C)=CC1(O)O2
}} }}

Revision as of 14:31, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 463560536 of page Bazinaprine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
ATC code
  • None
Identifiers
IUPAC name
  • 3-{amino}-6-phenylpyridazine-4-carbonitrile
PubChem CID
ChemSpider
UNII
ChEMBL
Chemical and physical data
FormulaC17H19N5O
Molar mass309.366 g/mol g·mol
3D model (JSmol)
SMILES
  • N#Cc2cc(nnc2NCCN1CCOCC1)c3ccccc3
InChI
  • InChI=1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)
  • Key:KRNDIPHOJLIHRI-UHFFFAOYSA-N