Metosulam
fo-70ec17bc12d04639
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
Alternative labels
4- [1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-
- N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
- Sinal
- Tacco
Properties
| Property | Value |
|---|---|
| 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
13Where 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 | 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)
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