Consensus flow list

Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide

fo-25f6431380897833

Identity

Type
Molecular complex
CAS
199119-58-9
EC
688-332-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WUIQUAIOZQKMOU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);
IUPAC name chemrof:IUPAC_name 2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt
Molecular formula chemrof:molecular_formula C14H14F3N5NaO6S
Molecular mass chemrof:molecular_mass 460.346
Monoisotopic mass chemrof:monoisotopic_mass 460.051458
SMILES string chemrof:smiles_string COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2OCC(F)(F)F)n1.[Na]

Known URLs

2

Where 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=199119-58-9 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66647759 enrich_references.pubchem_compound

Elementary flows

14
Flow Context Source Unit CFs
3603674c-f083-471e-a34c-2d8c70caa9ae Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b37c0ae4-097b-4da1-8405-6049f2fcf40c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ebfd93c4-1ed3-464d-9b08-bf6e6b7db1ea Environmental → Air → Indoor EF 3.1 kg 4
8954c750-f493-4eeb-b958-41ac099ed118 Environmental → Air → Long-term EF 3.1 kg 0
9ef7657e-109f-4316-8cac-e8270f2a692b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b39750e9-f1a8-429d-8d40-c7ea2567dcd4 Environmental → Air → Unknown EF 3.1 kg 4
415fc10d-2706-4489-a2c9-1d076969379b Environmental → Ground → Agricultural EF 3.1 kg 4
a430317a-9078-4c55-8f84-64f3f02dddf7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
df5fafef0e5404d8021bc151e60b620257e80238 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
224d64f0-f906-4c89-ab7e-7eed7c6f4172 Environmental → Ground → Unknown EF 3.1 kg 4
a2e7ad8b-1236-41a5-a3de-01978d9ee472 Environmental → Water → Long-term EF 3.1 kg 0
13246125-6d1b-4c11-af2c-bad9cea7b4c3 Environmental → Water → Ocean EF 3.1 kg 4
93d33a68-12e3-4c41-8002-548c5ca450c6 Environmental → Water → Surface water EF 3.1 kg 4
ddff98db-0f07-451b-8487-623176ac97ca Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-25f6431380897833",
  "prefLabel": [
    {
      "@value": "Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, sodium salt (1:1)",
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    {
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}

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