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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.

dehydroepiandrosterone
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
PubChem: 5881
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Posts

ATC code (partial): G03  On 28th April 2011, the FDA approved Abiraterone acetate (Brand name ZytigaTM) for the treatment of castrate-resistant prostate cancer (CRPC). Specifically, it is indicated for use in combination with prednisone for the treatment...
androstenedione
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
PubChem: 6128
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Posts

ATC code (partial): G03  On 28th April 2011, the FDA approved Abiraterone acetate (Brand name ZytigaTM) for the treatment of castrate-resistant prostate cancer (CRPC). Specifically, it is indicated for use in combination with prednisone for the treatment...
testosterone
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
PubChem: 6013
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Posts

ATC code (partial): G03  On 28th April 2011, the FDA approved Abiraterone acetate (Brand name ZytigaTM) for the treatment of castrate-resistant prostate cancer (CRPC). Specifically, it is indicated for use in combination with prednisone for the treatment...
diborane
InChI=1S/B2H6/c1-3-2-4-1/h1-2H2
PubChem: -1
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Posts

Since we were speaking of chemical hedgehogs and foxes the other day, here's a remarkable fox who we forgot to mention, and it's unfortunate that I was reminded of him by his obituary.William Lipscomb undoubtedly belongs to the top of the fox list. Lipscomb...
international chemical identifier
InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
PubChem: -1
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Posts

With the profusion of chemical information on the web in the form of chemical names, images of structures, specific codes (InChI etc), its sometimes very useful to be able to seamlessly retrieve some extra information while browsing a page that contains such...
Unichem is a simple database and web service for the InChI-based linkage of chemical structures across various resources. It was initially developed under the EU-OPENSCREEN ESFRI as an approach to link screening data from the planned screening collection to...
Lately, I’ve been very interested in using my university’s Learning Management System (we use Moodle, others use Blackboard or something else) to administer quizzes to my students, but as an organic chemist, I’ve been hesitant to do so. Primarily...
Here at ChEMBL, we are often contacted by users who are interested in purchasing some of the compounds that we store in our databases. However, our compounds are curated directly from the literature and we do not have access to physical samples. To enable our...
Its a simple and increasingly common question: how can I enable users to search my website by chemical structure? Text search can be done relatively easily, but chemical exact structure and substructure search are considerably more complex. This article offers...
The mcule project was started in last June with very ambitious goals. Several months have passed and you could ask whats happening behind the scenes? And when can I finally start searching/screening/ordering etc. Well, a lot of things happened since last June.Laying...
Developing a molecule database is not a trivial task. There are several problems you have to deal with and they can be handled differently depending on the size, content and purpose of the database. Here I try to provide a list of the most common issues we...
We are pleased to announce that we have updated the ChEMBL RESTful Web Service API (application programming interface) with some more of the features that you the ChEMBL users requested. In particular, we have added support for the: Retrieval of results in...
gabapentin
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
PubChem: 3446
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Posts

ATC code (partial): N03AX   On April 7, the FDA approved gabapentin enacarbil (tradename Horizant, Research Code: XP-13512) for the treatment of moderate-severe forms of restless legs syndrome (RLS). Patients suffering from RLS experience an urge...
ammonium dihydrogen phosphate
InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)
PubChem: -1
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Posts

Last Summer, we bought this crystal-growing kit in Oxfam. It contains ingredients and instructions to grow several types of crystals. Those nicknamed quartz and emerald in fact are monoammonium phosphate, NH4H2PO4, while amethyst and fluorite are grown from...
potassium alum
InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4


PubChem: 24856
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Posts

Last Summer, we bought this crystal-growing kit in Oxfam. It contains ingredients and instructions to grow several types of crystals. Those nicknamed quartz and emerald in fact are monoammonium phosphate, NH4H2PO4, while amethyst and fluorite are grown from...
beta-lactam
InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)-N


PubChem: 136721
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Posts

I appear to be on a bit of an obscure antibiotic kick right now, so bear with me! In 1928, a Scotsman named Alex Fleming discovered that a mould contaminating one of his Petri plate-based bacterial cultures was dissolving the bacterial colonies around it as...
hydrofluoric acid
InChI=1/FH/h1H
PubChem: 144682
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Posts

Plan on working with HF? A friend who was president of an HF manufacturing companyoncegave me some valuable advice.There are several things to do before the plastic bottle of HF arrives. First, have a well ventilated fume hood available. Next, read up on HF...