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To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

cyclohexane
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA
PubChem: 8078
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Posts

Sometimes you make decisions which turn out unlucky. Christoph, Dan, and I made one about 10 years ago (see this photo from Dan with his whiteboard where we wrote down our thoughts). The one I am talking about is not bad in itself, but the implementation...
vanillic acid
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey=WKOLLVMJNQIZCI-UHFFFAOYSA
PubChem: 8468
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
methyl p-hydroxybenzoate
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA
PubChem: 7456
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
trans-cinnamic acid
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey=WBYWAXJHAXSJNI-GCURPGTCSA
PubChem: 444539
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
coumaric acid
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey=NGSWKAQJJWESNS-CFQHBETGSA
PubChem: 637542
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
ferulic acid
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey=KSEBMYQBYZTDHS-WQXFOKTFSA
PubChem: 445858
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
butanoic acid
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA
PubChem: 264
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Posts

Last week I was in sunny Cascais, and in three days experienced -23oC and +18oC. The reason I was there was the kick-off meeting of the EU FP7 cluster SEURAT, which includes 'our' ToxBank project. Data types we will host include many different types, including...
cyclic amp
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey=IVOMOUWHDPKRLL-KQYNXXCUSA
PubChem: 6076
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Posts

On March 1st, 2011, the FDA approved Roflumilast (tradename:Daxas tradename:Daliresp) for the treatment of patients with chronic obstructive pulmonary disease (COPD) a chronic and serious disease involving restriction of full lung function. The narrowing of...
adenosine monophosphate
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey=UDMBCSSLTHHNCD-KQYNXXCUSA
PubChem: 46875232
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Posts

On March 1st, 2011, the FDA approved Roflumilast (tradename:Daxas tradename:Daliresp) for the treatment of patients with chronic obstructive pulmonary disease (COPD) a chronic and serious disease involving restriction of full lung function. The narrowing of...
tropane
InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+
PubChem: 637986
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Posts

ATC code : V09AB03On January 14th 2011, the FDA approved Ioflupane 123I (USAN: Ioflupane I123 USANdate: 2009 tradename: DaTSCAN) for the imaging of dopamine transporters in the brain of adult patients with potential Parkinsonian Syndromes. Ioflupane is...