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BODC parameter semantic model chemical substances
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NTR: 2 new substances - benzotriazole and citalopram [BODCNVS-2167] #29

Closed danibodc closed 2 months ago

danibodc commented 2 months ago

Term name (PrefLabel) - REQUIRED

benzotriazole

CAS Registry Number - REQUIRED

95-14-7

Definition - REQUIRED

The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has a ariety of uses, for instance as a corrosion inhibitor for copper. It has a molecular formula C6H5N3.

Sources/references - REQUIRED

NA

Mapping to external terminologies - OPTIONAL

https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75331 https://pubchem.ncbi.nlm.nih.gov/compound/7220

ORCID - OPTIONAL

Term name (PrefLabel) - REQUIRED

citalopram

CAS Registry Number - REQUIRED

59729-33-8

Definition - REQUIRED

A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. It has a molecular formula C20H21FN2O.

Sources/references - REQUIRED

NA

Mapping to external terminologies - OPTIONAL

https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3723 https://pubchem.ncbi.nlm.nih.gov/compound/2771

ORCID - OPTIONAL

danibodc commented 2 months ago

Terms have now been loaded and are now live on the NVS:

CS004549 benzotriazole CS004548 citalopram

Osanna123 commented 2 months ago

Mapping to external terminologies: CS004549 benzotriazole same as https://vocab.ices.dk/?codeguid=d4629da0-722d-463d-b6b7-ddc1ffaa6bfd CS004548 citalopram same as https://vocab.ices.dk/?codeguid=0f292382-61ca-4bb0-ac47-d1404fe83b25

danibodc commented 2 months ago

Thank you @Osanna123, I've added these mappings.

danibodc commented 2 months ago

https://vocab.nerc.ac.uk/collection/S27/current/CS004548/ https://vocab.nerc.ac.uk/collection/S27/current/CS004549/