Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 15:08, 21 November 2011 (Saving copy of the {{chembox}} taken from revid 443866961 of page Ibrolipim for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 15:08, 21 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 443866961 of page Ibrolipim for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 443866961 of page Ibrolipim with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name diethyl {4-benzyl}phosphonate
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL34234
ChemSpider	116297
KEGG	D03747
PubChem CID	131601
InChI InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)Key: KPRTURMJVWXURQ-UHFFFAOYSA-N InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23) InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)Key: KPRTURMJVWXURQ-UHFFFAOYSA-N
SMILES Brc2cc(C#N)c(NC(=O)c1ccc(cc1)CP(=O)(OCC)OCC)cc2
Properties
Chemical formula	C19H20BrN2O4P
Molar mass	451.25
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