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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.

ambien
InChI=1/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
InChIKey=ZAFYATHCZYHLPB-UHFFFAOYAM
PubChem: 5732
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Posts

I haven’t done a drug Sunday in a while, but I feel as though I should, given the heinousness of my previous post. You see, I have some sort of anxiety disorder or something which appears to run in my family. I usually work this out with running but haven’t...
Heath Leger died, some speculate from a drug OD. From here:Six prescription drugs were found, including Ambien, Valium, anti-depressant Zoloft, Xanax, Zoplicone [sic] and DonormylSo, this is The Chem Blog and not Variety and I don’t care too much about...
diazepam
InChI=1/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey=AAOVKJBEBIDNHE-UHFFFAOYAM
PubChem: 3016
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Posts

Databases of chemical structures become much more valuable when data and structures are linked together. Today's stop on our continuing survey of free chemistry databases and Web services takes us to ChemSpider, a service that like few others embraces the idea...
Heath Leger died, some speculate from a drug OD. From here:Six prescription drugs were found, including Ambien, Valium, anti-depressant Zoloft, Xanax, Zoplicone [sic] and DonormylSo, this is The Chem Blog and not Variety and I don’t care too much about...
rapamycin
InChI=1/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,
InChIKey=FZFNUIJONILFOL-UHFFFAOYAC
PubChem: 6436030
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Posts

Also approved this year, on March 30th 2009, is Everolimus (USAN). Everolimus is an inhibitor of mTOR (mammalian target of rapamycin), a serine-threonine kinase, and is indicated for the treatment of advanced renal cell carcinoma after failure of treatment...
  A number of neuropsychiatric disorders, including schizophrenia, is presumably caused by malfunction of dopamine receptors in the vertebrate central nervous system. While most existing antipsychotic drugs target dopamine D2 and other receptors,...
chloroform
InChI=1/CHCl3/c2-1(3)4/h1H
InChIKey=HEDRZPFGACZZDS-UHFFFAOYAG
PubChem: 6212
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Posts

Like it's acyclic cousin, cyclopropane is a colourless gas with a notable smell and taste that is both inflammable and potentially explosive and typically stored in metal cylinders as a liquid under pressure.Cyclopropane is the simplest possible cyclic hydrocarbon,...
Like it's acyclic cousin, cyclopropane is a colourless gas with a notable smell and taste that is both inflammable and potentially explosive and typically stored in metal cylinders as a liquid under pressure.Cyclopropane is the simplest possible cyclic hydrocarbon,...
My life as a postdoc is almost up, and so this blog will soon be reaching some sort of conclusion. Still, there’s some time to write a post or two that I’ve been meaning to write for a while.In my field, if you want to make progress, you end up...
lipitor
InChI=1/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1/f/h35,39H
InChIKey=XUKUURHRXDUEBC-WPPSOWBEDM
PubChem: 60823
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Freakonomics, a book cowritten by the U Chicago economist Steve Levitt, is a treatise on the economics of ethics. I am in the school of belief that morality and ethics are separate but not mutually exclusive sets of… er…. lifestyle choices. Ethics,...
Reflect . small molecule . String Stitch .European Molecular Biology Laboratory Elsevier Grand Challenge 1 $35,000 . ...Reflect . . About . . . Reflect . . Preference organism . .Reflect firefox Wikipedia Lipitor reflect . ( ) . , . . Reflect . . . . -- 2.0...
artemisinin
InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
InChIKey=BLUAFEHZUWYNDE-JMZKZHPFBX
PubChem: 68827
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The BBC reports today that malaria has started to evolve resistance to the artemesinin family of drugs that are used as the world’s front-line defense against the most prevalent and deadly form of the disease.Artemesinin emerged from a Chinese herbal...
The BBC reports today that malaria has started to evolve resistance to the artemesinin family of drugs that are used as the world’s front-line defense against the most prevalent and deadly form of the disease.Artemesinin emerged from a Chinese herbal...
egcg
InChI=1/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
InChIKey=WMBWREPUVVBILR-WIYYLYMNBM
PubChem: 65064
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Posts

The health benefits of green tea, from alertness-boosting antioxidants to aiding slimming and defying aging, are persistently splashed across the TV and the web. Now, according to a seminal study from German researchers, those wonderful polyphenols could also...
2-hydroxy-1,4-naphthoquinone#cite note-2
InChI=1/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H
InChIKey=WVCHIGAIXREVNS-UHFFFAOYAN
PubChem: 6755
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Posts

Last year, while visiting family in Germany, I decided to pick some walnuts to bring home to Norway. They were not ripe, which was good, because I was planning to make nocino, a walnut liqueur. You can easily find a number of recipes by googling and there is...
aromatic amine dye present in most hair dyesadded to henna paste to create "black henna", which is intended to make henna tattoos appear darker in order to create the classic black ink tattoo lookhenna (Lawsonia alba/inermis) is a flowering plant that contains...
norbornene
InChI=1/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
InChIKey=JFNLZVQOOSMTJK-UHFFFAOYAB
PubChem: 10352
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My husband works in what I consider to be the materials side of chemistry (he is currently the only chemist in a group of physicists), so even though I am an organic chemist at heart, I really enjoy reading about new developments in nanotechnology. Yesterday...
Carbon disulfide, or CS2 (or commonly in my lab, “what the hell is that smell”) is a low-boiling organic solvent. Structurally, it looks just like carbon dioxide but with sulfur instead of oxygen. It’s used most often for Friedel-Crafts and...
ferrocene
InChI=1/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;

PubChem: 11985121
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Posts

Ferrocene was discovered in 1951 and we still do not know the proper way to draw it. CrossFire example recommends to connect every carbon atom of the ring to the central metal atom. Which is fair enough and will be a valid query for CrossFire Gmelin database....
Rich Apodaca has asked me to show how CML can deal with metallocene compounds - and I’m happy to do this - it comes at a very good time. He points to Metallome blog and I’ll copy some of the material on ferrocene. I’ll show the post and then...