Consensus flow list

N'-tert-butyl-n'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2h-1-benzopyran-6-carbohydrazide

fo-6b94d50cf4f22b5b

Identity

Type
NeutralMolecule
CAS
143807-66-3
EC
604-382-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for N'-tert-butyl-n'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2h-1-benzopyran-6-carbohydrazide

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HPNSNYBUADCFDR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
IUPAC name chemrof:IUPAC_name N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methylchromane-6-carbohydrazide
Molecular formula chemrof:molecular_formula C24H30N2O3
Molecular mass chemrof:molecular_mass 394.515
Monoisotopic mass chemrof:monoisotopic_mass 394.22564, 394.225643
SMILES string chemrof:smiles_string Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1

Known URLs

15

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
beilstein beilstein:10113703 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=143807-66-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38450 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.216 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4057976 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL227020 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2ODM465D5M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250201 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.295.632K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18515 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18515 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55870 enrich_references.pubchem_identifier_url
ppdb ppdb:1136 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10157484 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22807314 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
7bed3d36-3b60-4af7-a490-93b5360faffe Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ec7869b2-b473-429d-8422-a527c26d0208 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
47937e32-6095-4c5c-8e53-f95f4728f6ab Environmental → Air → Indoor EF 3.1 kg 4
de49ed52-0c72-42c7-88e7-1580e318a260 Environmental → Air → Long-term EF 3.1 kg 0
ee9a0d08-64ca-4811-adb4-af789c41e5e1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0f64bee0-8a14-44c5-9b5a-3fde01269712 Environmental → Air → Unknown EF 3.1 kg 4
3d148f40-3789-488e-90bb-04e89a0267a7 Environmental → Ground → Agricultural EF 3.1 kg 4
c3f43926-0540-4989-91d1-3d2a7449a5de Environmental → Ground → Non-agricultural EF 3.1 kg 4
c0e31271d2f73c90e42504ff21b235c43994942a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7b4e29a4-e12b-4e76-8848-87ab02dfb79d Environmental → Ground → Unknown EF 3.1 kg 4
14d0ed84-45e4-451e-acbd-3533cc0a9025 Environmental → Water → Long-term EF 3.1 kg 0
44364d39-f763-490a-b72a-d03963ddcc9c Environmental → Water → Ocean EF 3.1 kg 4
2243c414-b768-4761-8094-ee3d22a99da5 Environmental → Water → Surface water EF 3.1 kg 4
a17e0c52-baf5-4ee9-ab32-21de335c8945 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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