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Revision as of 10:47, 9 April 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 482537657 of page Betamethasone_dipropionate for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', 'ChEMBL', 'CAS_...← Previous edit Revision as of 10:48, 9 April 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 485814301 of page Bibenzyl for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI').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
| ImageFile = Bibenzyl.svg
| IUPAC_name = phenanthren-17-yl] propanoate
| ImageSize = 200px
| image = Betamethasone_dipropionate.png
| IUPACName = 1,1’-Ethane-1,2-diyldibenzene

| OtherNames = Dibenzil; Dibenzyl; Dihydrostilbene; 1,2-Diphenylethane; ''sym''-Diphenylethane
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| tradename =
| CASNo = 103-29-7
| Drugs.com = {{drugs.com|monograph|betamethasone}}
| CASNo_Ref = {{cascite|correct|CAS}}
| pregnancy_category =
| ChEMBL = 440895
| legal_status =
| ChEBI = 34047
| routes_of_administration = topical
| PubChem = 7647

| ChemSpiderID = 7364
<!--Pharmacokinetic data-->
| SMILES = c1ccc(cc1)CCc2ccccc2
| bioavailability =
| InChI = 1/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
| protein_bound =
| InChIKey = QWUWMCYKGHVNAV-UHFFFAOYAL
| metabolism =
| StdInChI = 1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
| elimination_half-life =
| StdInChIKey = QWUWMCYKGHVNAV-UHFFFAOYSA-N

}}
<!--Identifiers-->
| Section2 = {{Chembox Properties
| CAS_number = <!-- blanked - oldvalue: 5593-20-4 -->
| C=14|H=14
| ATC_prefix =
| Appearance = Crystalline solid<ref name=Merck>'']'', 11th Edition, '''1219'''</ref>
| ATC_suffix =
| Density = 0.9782 g/cm<sup>3</sup><ref name=Merck/>
| ATC_supplemental =
| ChEBI = 31276 | MeltingPtCL = 52.0
| MeltingPtCL = 52.5
| StdInChI = 1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
| Melting_notes = <ref name=Merck/>
| StdInChIKey = CIWBQSYVNNPZIQ-XYWKZLDCSA-N
| PubChem = 21800 | BoilingPtC = 284
| Boiling_notes = <ref name=Merck/>
| DrugBank =
| Solubility = Insoluble
| ChemSpiderID = 20490
}}
| ChEMBL = <!-- blanked - oldvalue: 1200384 -->
| Section3 = {{Chembox Hazards
| C=28 | H=37 | F=1 | O=7
| MainHazards =
| molecular_weight = 504.59 g/mol
| FlashPt =
| smiles = O=C(OCC(=O)3(OC(=O)CC)2(C(O)4(F)/1(\C(=C/C(=O)\C=C\1)CC42C3C)C)C)CC
| Autoignition =
| InChI = 1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
}}
| InChIKey = CIWBQSYVNNPZIQ-XYWKZLDCBG
| synonyms = Betamethasone-17,21-dipropionate
}} }}

Revision as of 10:48, 9 April 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 485814301 of page Bibenzyl with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1,1’-Ethane-1,2-diyldibenzene
Other names Dibenzil; Dibenzyl; Dihydrostilbene; 1,2-Diphenylethane; sym-Diphenylethane
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2Key: QWUWMCYKGHVNAV-UHFFFAOYSA-N
  • InChI=1/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2Key: QWUWMCYKGHVNAV-UHFFFAOYAL
SMILES
  • c1ccc(cc1)CCc2ccccc2
Properties
Chemical formula C14H14
Molar mass 182.266 g·mol
Appearance Crystalline solid
Density 0.9782 g/cm
Boiling point 284 °C (543 °F; 557 K)
Solubility in water Insoluble
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Tracking categories (test):
Chemical compound
  1. ^ The Merck Index, 11th Edition, 1219
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