New molecules
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chloropicrin
InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
InChIKey=LFHISGNCFUNFFM-UHFFFAOYSA
InChIKey=LFHISGNCFUNFFM-UHFFFAOYSA
Posts
Let me start off this week with a little happy birthday to the Safety Zone! We began the blog a year ago and have covered more than a few safety letters along withincidents atTexas Tech, Missouri and SIUC, and Sepracor. We’ve also hadRuss’ rant...
InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89
InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89
InChIKey=IEVAIKYDXFEOHW-UHFFFAOYSA
InChIKey=IEVAIKYDXFEOHW-UHFFFAOYSA
Posts
The crystal structure of the P450 monooxygenase from Actinoplanes teichomyceticus (CYP165D3) involved in biosynthesis of antibiotic teicoplanin has been solved [1].Li, Z., Rupasinghe, S., Schuler, M. and Nair, S.K. (2011) Crystal structure of a phenol-coupling...
aspartame
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey=IAOZJIPTCAWIRG-QWRGUYRKSA
InChIKey=IAOZJIPTCAWIRG-QWRGUYRKSA
Posts
Aspartame is an artificial, non-saccharide, sweetener used as a sugar substitute in some foods and beverages usually so that they can be labelled as “lite” or “diet” products. In the European Union, it is coded as E951. Aspartame is...
cyclohexane
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA
InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA
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
InChIKey=WKOLLVMJNQIZCI-UHFFFAOYSA
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
InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA
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
InChIKey=WBYWAXJHAXSJNI-GCURPGTCSA
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
InChIKey=NGSWKAQJJWESNS-CFQHBETGSA
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
InChIKey=KSEBMYQBYZTDHS-WQXFOKTFSA
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
InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA
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...