NTR: Batch of new S27s

[danibodc]

CS004554 - 1,1'-ethane-1,2-diylbis(pentabromobenzene) CS004555 - 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethan-1-one CS004556 - 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol CS004557 - 2-(2H-benzotriazol-2-yl)-4-methylphenol CS004558 - dioxybenzone CS004559 - 2,4,6,8-tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane CS004560 - homosalate CS004561 - 3,4,5-trimethylphenyl methylcarbamate CS004562 - 2,2'-methylenediphenol CS004563 - 4-(αlpha,αlpha-dimethylbenzyl)phenol CS004564 - azacyclonol CS004565 - bis(2,6-diisopropylphenyl)carbodiimide CS004566 - bis(2-ethylhexyl) adipate CS004567 - bumetrizole CS004568 - carbazole CS004569 - chloramphenicol CS004570 - 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid CS004571 - mefenamic acid CS004572 - N-1,3-dimethylbutyl-N'-phenyl-p-phenylenediamine-quinone CS004573 - N,N-dimethyl-1-octadecanamine CS004574 - N,N-dimethyldodecan-1-amine CS004575 - octabenzone CS004576 - octinoxate CS004577 - O-desmethylvenlafaxine CS004578 - ofloxacin CS004579 - oxolinic acid CS004580 - 2,3,4,5,6-pentabromotoluene CS004581 - tramadol CS004582 - irbesartan CS004583 - venlafaxine CS004584 - hexabromobenzene CS004585 - 2,4-dihydroxybenzophenone CS004586 - N-1,3-dimethylbutyl-N'-phenyl-p-phenylenediamine CS004587 - 2-isopropyl-9H-thioxanthen-9-one

@MeganAnneFrench These terms have been published and will be live on the NVS from tomorrow morning. We will also map these to P36 terms.

[danibodc]

@MeganAnneFrench I forgot to add - you had requested acetaminophen, we already have 'paracetamol' in S27: https://vocab.nerc.ac.uk/collection/S27/current/CS003962/ so hopefully this one would suit?

[MeganAnneFrench]

Yes, no problem, I had searched by name or CAS in the NVS search tool, but CAS only come up if included in a P01, so I had not found it. Thanks again!

[SLBlakeman]

Hi @MeganAnneFrench,

I've linked the following S27s and P36s:

CS004561 - 3,4,5-trimethylphenyl methylcarbamate to Pesticides and biocides CS004563 - 4-(αlpha,αlpha-dimethylbenzyl)phenol to Pesticides and biocides CS004564 - azacyclonol to Pharmaceuticals CS004569 - chloramphenicol to Pharmaceuticals CS004570 - 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid to Pharmaceuticals CS004571 - mefenamic acid to Pharmaceuticals CS004577 - O-desmethylvenlafaxine to Pharmaceuticals CS004578 - ofloxacin to Pharmaceuticals CS004579 - oxolinic acid to Pharmaceuticals CS004581 - tramadol to Pharmaceuticals CS004582 - irbesartan to Pharmaceuticals CS004583 - venlafaxine to Pharmaceuticals

The remainder appear to all be either flame retardants or UV stabilisers, I'm not quite sure what P36 those should be linked to, if any. Do you agree with the linkages we've done? Are there any other linkages that you would suggest?

The changes I've made will appear on the NVS in the morning.

Thanks, Sam

[MeganAnneFrench]

Hi Sam, I know, most of them have no P36, don't worry (it is a known issue with the current P36s...). The only difference between your list and mine is that I did not class CS004563 (CAS 599-64-4) as a Pesticide and biocide because it say the following in PubChem (4-Cumylphenol | C15H16O | CID 11742 - PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11742#section=Use-and-Manufacturing): "Used to make resins, insecticides, lubricants, polycarbonates, and surfactants; [HSDB] Used as an intermediate". (i.e. it has a wider use, "The major use of phenol, 4-(1-methyl-1-phenethyl)- (which is commonly known as 4-cumylphenol) is as a chain terminator for polycarbonates"). In the CONTRAST project, it is classified as "Degradant and impurity, Solvent". Thanks to both you and Dani for your effort!

On Thu, 21 Nov 2024 at 16:35, Samantha Blakeman @.***> wrote:

Hi @MeganAnneFrench https://github.com/MeganAnneFrench,

I've linked the following S27s and P36s:

CS004561 http://vocab.nerc.ac.uk/collection/S27/current/CS004561/ - 3,4,5-trimethylphenyl methylcarbamate to Pesticides and biocides http://vocab.nerc.ac.uk/collection/P36/current/PESTBI/ CS004563 http://vocab.nerc.ac.uk/collection/S27/current/CS004563/ - 4-(αlpha,αlpha-dimethylbenzyl)phenol to Pesticides and biocides http://vocab.nerc.ac.uk/collection/P36/current/PESTBI/ CS004564 http://vocab.nerc.ac.uk/collection/S27/current/CS004564/ - azacyclonol to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004569 http://vocab.nerc.ac.uk/collection/S27/current/CS004569/ - chloramphenicol to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004570 http://vocab.nerc.ac.uk/collection/S27/current/CS004570/ - 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004571 http://vocab.nerc.ac.uk/collection/S27/current/CS004571/ - mefenamic acid to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004577 http://vocab.nerc.ac.uk/collection/S27/current/CS004577/ - O-desmethylvenlafaxine to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004578 http://vocab.nerc.ac.uk/collection/S27/current/CS004578/ - ofloxacin to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004579 http://vocab.nerc.ac.uk/collection/S27/current/CS004579/ - oxolinic acid to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004581 http://vocab.nerc.ac.uk/collection/S27/current/CS004581/ - tramadol to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004582 http://vocab.nerc.ac.uk/collection/S27/current/CS004582/ - irbesartan to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/ CS004583 http://vocab.nerc.ac.uk/collection/S27/current/CS004583/ - venlafaxine to Pharmaceuticals http://vocab.nerc.ac.uk/collection/P36/current/PHARMS/

The remainder appear to all be either flame retardants or UV stabilisers, I'm not quite sure what P36 those should be linked to, if any. Do you agree with the linkages we've done? Are there any other linkages that you would suggest?

The changes I've made will appear on the NVS in the morning.

Thanks, Sam

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