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Revision as of 09:39, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 463840318 of page Camphor for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 09:40, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 462320381 of page Chlorhexidine for the Chem/Drugbox validation project (updated: 'DrugBank').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) 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.}}
{{Chembox {{Drugbox
| Verifiedfields = changed
| verifiedrevid = 443495749
| verifiedrevid = 460030694
| Reference=<ref>''The Merck Index'', 7th edition, Merck & Co., Rahway, New Jersey, USA, 1960</ref><ref>''Handbook of Chemistry and Physics'', CRC Press, Ann Arbor, Michigan, USA</ref>
| IUPAC_name = ''N''',''N<nowiki>'''''</nowiki>''-hexane-1,6-diylbis
| ImageFileL1 = camphor structure.png
| image = Chlorhexidine.png
| ImageFileL1_Ref = {{Chemboximage|correct|??}}
| ImageSizeL1 = 100 | width = 183

| ImageNameL1 = Structural formula of camphor
<!--Clinical data-->
| ImageFileR1 = Camphor-3D-balls.png
| tradename = Hibiclens
| ImageFileR1_Ref = {{Chemboximage|correct|??}}
| Drugs.com = {{drugs.com|pro|chlorhexidine}}
| ImageSizeR1 = 120

| ImageNameR1 = Ball and stick model of camphor ((1R,4R)-1-methyl,heptan)
<!--Identifiers-->
| IUPACName = 1,7,7-Trimethylbicycloheptan-2-one
| CASNo_Ref = {{cascite|correct|CAS}}
| SystematicName = 1,7,7-Trimethylbicycloheptan-2-one
| CAS_number_Ref = {{cascite|correct|??}}
| OtherNames = 2-Bornanone; Bornan-2-one; 2-Camphanone; Formosa
| CAS_number = 55-56-1
| Section1 = {{Chembox Identifiers
| CASNo = 76-22-2 | ATC_prefix = A01
| ATC_suffix = AB03
| CASNo_Ref = {{cascite|correct|CAS}}
| ATC_supplemental = {{ATC|B05|CA02}}, {{ATC|D08|AC02}}, {{ATC|D09|AA12}}, {{ATC|R02|AA05}}, {{ATC|S01|AX09}}, {{ATC|S02|AA09}}, {{ATC|S03|AA04}}
| CASNo1 = 464-49-3
| PubChem = 5353524
| CASNo1_Ref = {{cascite|correct|CAS}}
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| CASNo1_Comment = (''R'')
| CASNo2 = 464-48-2 | DrugBank = DB00878
| CASNo2_Ref = {{cascite|correct|??}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 2612
| CASNo2_Comment = (''S'')
| UNII_Ref = {{fdacite|correct|FDA}}
| PubChem = 2537
| UNII = R4KO0DY52L
| PubChem_Ref = {{Pubchemcite|correct|PubChem}}
| KEGG_Ref = {{keggcite|correct|kegg}}
| PubChem1 = 9543187
| KEGG = D07668
| PubChem1_Ref = {{Pubchemcite|correct|PubChem}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| PubChem1_Comment = (''R'')
| PubChem2 = 10050 | ChEBI = 3614
| PubChem2_Ref = {{Pubchemcite|correct|PubChem}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 790
| PubChem2_Comment = (''S'')

| ChemSpiderID = 2441
<!--Chemical data-->
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| C=22 | H=30 | Cl=2 | N=10
| ChemSpiderID1 = 7822160
| molecular_weight = 505.446 g/mol
| ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}}
| smiles = Clc2ccc(NC(=N/C(=N/CCCCCC/N=C(/N=C(N)Nc1ccc(Cl)cc1)N)N)N)cc2
| ChemSpiderID1_Comment = (''R'')
| InChI = 1/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
| ChemSpiderID2 = 9655
| InChIKey = GHXZTYHSJHQHIJ-UHFFFAOYAU
| ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}}
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| ChemSpiderID2_Comment = (''S'')
| StdInChI = 1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
| UNII = 5TJD82A1ET
| UNII_Ref = {{fdacite|correct|FDA}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = GHXZTYHSJHQHIJ-UHFFFAOYSA-N
| EINECS = 200-945-0
| UNNumber = 2717
| KEGG = D00098
| KEGG_Ref = {{keggcite|correct|kegg}}
| MeSHName = Camphor
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 36773
| ChEMBL = 15768
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| IUPHAR_ligand = 2422
| RTECS = EX1225000
| Beilstein = 1907611
| Gmelin = 83275
| 3DMet = B04729
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB01744
| ATCCode_prefix = C01
| ATCCode_suffix = EB02
| SMILES = CC1(C)C2CCC1(C)C(=O)C2
| SMILES1 = O=C1CC2CCC1(C)C2(C)C
| StdInChI = 1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChI = 1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
| StdInChIKey = DSSYKIVIOFKYAU-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = DSSYKIVIOFKYAU-UHFFFAOYAK
}}
| Section2 = {{Chembox Properties
| C = 10
| H = 16
| O = 1
| ExactMass = 152.120115134 g mol<sup>-1</sup>
| Appearance = White, translucent crystals
| Density = 0.990 g cm<sup>-3</sup>
| MeltingPtCL = 175
| MeltingPtCH = 177
| BoilingPtC = 204
| Solubility = 1.2 g dm<sup>-3</sup>
| Solvent1 = acetone
| Solubility1 = ~2500 g dm<sup>-3</sup>
| Solvent2 = acetic acid
| Solubility2 = ~2000 g dm<sup>-3</sup>
| Solvent3 = diethyl ether
| Solubility3 = ~2000 g dm<sup>-3</sup>
| Solvent4 = chloroform
| Solubility4 = ~1000 g dm<sup>-3</sup>
| Solvent5 = ethanol
| Solubility5 = ~1000 g dm<sup>-3</sup>
| LogP = 2.089
| VaporPressure = 4 mmHg (at 70 °C)
| SpecRotation = +44.1°
}}
| Section3 = {{Chembox Hazards
| EUClass = {{Hazchem F}}{{Hazchem Xn}}
| RPhrases = {{R11}} {{R22}} {{R36/37/38}}
| SPhrases = {{S16}} {{S26}}
| NFPA-H = 2
| NFPA-F = 2
| NFPA-R = 0
| ExploLimits = 3.5%
| FlashPt = 64 °C
}}
| Section4 = {{Chembox Related
| Function = ]s
| OtherFunctn = ], ]
| OtherCpds = ], ], ], ], ]
}}
}} }}

Revision as of 09:40, 5 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 462320381 of page Chlorhexidine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Trade namesHibiclens
AHFS/Drugs.comFDA Professional Drug Information
ATC code
Identifiers
IUPAC name
  • N',N'''''-hexane-1,6-diylbis
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC22H30Cl2N10
Molar mass505.446 g/mol g·mol
3D model (JSmol)
SMILES
  • Clc2ccc(NC(=N/C(=N/CCCCCC/N=C(/N=C(N)Nc1ccc(Cl)cc1)N)N)N)cc2
InChI
  • InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
  • Key:GHXZTYHSJHQHIJ-UHFFFAOYSA-N
  (what is this?)  (verify)
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