Consensus flow list

Identity

Type
Neutral molecule
CAS
139528-85-1
EC
410-240-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Metosulam

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VGHPMIFEKOFHHQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3
IUPAC name chemrof:IUPAC_name N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Molecular formula chemrof:molecular_formula C14H13Cl2N5O4S
Molecular mass chemrof:molecular_mass 418.262
Monoisotopic mass chemrof:monoisotopic_mass 417.00653
SMILES string chemrof:smiles_string COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1

Known URLs

13

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=139528-85-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82024 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.987 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.036 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9047544 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2288020 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/38SY84A64X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034850 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J669.286I enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C18867 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46712 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86422 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q17124753 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
8c1cb8cc-23ea-4adb-8906-256084ec675b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6c998ad2-1741-44d5-9ef5-301ff726660a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a3718d07-9b89-4b6b-8e1a-520adbef39be Environmental → Air → Indoor EF 3.1 kg 4
40168f29-4076-46cf-82c3-9a828287f403 Environmental → Air → Long-term EF 3.1 kg 0
e405282e-5767-4981-87e0-ec4a40bbc854 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
67ef18af-7a28-4d10-afd5-2ce1174fec60 Environmental → Air → Unknown EF 3.1 kg 4
ebee5f8e-9bcc-4cfd-9ea5-b555946efea6 Environmental → Ground → Agricultural EF 3.1 kg 4
a0c7c9b0-4654-4a9a-a5d4-531a6b75d04a Environmental → Ground → Non-agricultural EF 3.1 kg 4
e85423db91fa8824ebeef77abd47ad4fa8b8d4a7 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
6db92830-b307-473b-9fc9-4ddb03ec6998 Environmental → Ground → Unknown EF 3.1 kg 4
99e49a16-10b8-4c92-9508-2a216afb7055 Environmental → Water → Long-term EF 3.1 kg 0
c017c497-1a98-4353-b9c5-1601ae1c6eac Environmental → Water → Ocean EF 3.1 kg 4
a935c0b8-4467-489f-95df-67a8d6aa1e65 Environmental → Water → Surface water EF 3.1 kg 4
550362e5-1518-4b5e-8e22-5774ef052b61 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
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  "altLabel": [
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  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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