Copyright©2008 Antony Williams
In an ongoing commentary about the DailyMed dataset (1,2) I have been showing some of the struggles regarding creating curated datasets from publicly available data. This post shows an example of when trade names collide. The DailyMed record for sclerosol shows no chemical structure in the label….but describes the compound as follows:
“Sclerosol® Intrapleural Aerosol (sterile talc powder 4 g) is a sclerosing agent for intrapleural administration supplied as a single-use, pressurized spray canister with two delivery tubes of 15 cm and 25 cm in length. Each canister contains 4.0 g of talc, either white or off-white to light grey, asbestos-free, and brucite-free grade of talc of controlled granulometry. The composition of the talc is ≥ 95% talc as hydrated magnesium silicate. The empirical formula is Mg3 Si4 O10 (OH)2 with molecular weight of 379.3.”
Sclerosol is Talc. A search on Sclerosol online however brings us numerous hits for dimethyl sulfoxide on ChemIndustry and the Comparitive Toxicogenomics database and on MeSH. So, is Sclerasol also DMSO?
The PubChem record merges the relationship between Talc and DMSO rather well. Visit the record here. The substance summary is as follows:
“A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.”
Further information is the MeSH details shown below.
The image of the associated structure is shown below…notice it’s representative of talc.
It appears that DMSO and Talc were meshed somehow.
Sclerasol on ChemSpider is Talc. I am not stating that the structure representation of talc is appropriate but it IS the same as the one displayed on PubChem. DMSO on ChemSpider is here and never had the name Sclerasol associated with it. Since we derived some of our data from PubChem I am not sure how we managed to separate the DMSO and Sclerasol association in our processes…but we did.
So, MAYBE Sclerasol is a name for DMSO…but I don’t think so.
Why is this important? As we are working on text mining and will use a lookup dictionary of chemical names and structures as part of the process we are putting in the work to create a high quality dictionary. it’s important for us moving forward.Stumble it!