Florasulam
fo-b9c8c2ff2df20ba2
Identity
- Type
- Neutral molecule
- CAS
- 145701-23-1
- EC
- 604-488-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
8- [1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-
- Kantor
- Kantor 050 SC
- N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
- PrePass XC
- Primus
- Primus SC
- Turpine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QZXATCCPQKOEIH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3 |
| IUPAC name chemrof:IUPAC_name | N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide |
| Molecular formula chemrof:molecular_formula | C12H8F3N5O3S |
| Molecular mass chemrof:molecular_mass | 359.289 |
| Monoisotopic mass chemrof:monoisotopic_mass | 359.02999, 359.029995 |
| SMILES string chemrof:smiles_string | COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12 |
Known URLs
15Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=145701-23-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82009 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.127.229 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7044340 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB15316 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185236 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/00A64ZX8NB | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0252312 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.388.962G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18850 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18850 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155414 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:322 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11700495 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22807578 | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 069fc33c-b372-4893-8b63-6b726516326a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a3e83f01-f237-454d-ad02-640b54b0891a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 42f6163a-2713-4ab1-ae38-7d4356dc15a4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 099baf1d-08ae-4d12-a0ab-f63a3817d4d3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 91573919-2b9f-40e2-ac45-763f1bebd229 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 07183558-da2d-4de6-933f-6b901d6ed5ff | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 22db948c-cea0-43df-a2b0-a82fb222c4b3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 71cdbfff-e0af-405a-bb00-6307311db64c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8a89e13b87da1e46b49fcf5d26d8e91bf5bfebe0 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 7ef68a44-0b9b-47df-af88-2b4c64ac8d64 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| bfb3ba67-0b7a-4d50-b9bc-1a73d3fdf03a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3322e031-e3d8-44ba-adcf-68fa49e696bf | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ab1c33dcdbf2b19e1a505214570535f17f2b4754 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| e0768302-baeb-4ac5-9446-9d7cedc47d70 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| ed216b68-c46c-4bc8-a4db-47caa836dc64 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works